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(Ir)3Bi(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two bismuth molecules, eighteen formaldehyde molecules, and six iridium molecules.
Re(CO)5Cl is Cubic alpha N2-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four chlororhenium molecules and twenty formaldehyde molecules.
Fe3C9SO9CO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four formaldehyde molecules and four Fe3C9SO9 clusters. In each Fe3C9SO9 cluster, there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to three C+1.60+ and one S2- atom. There is one shorter (1.79 Å) and two longer (1.80 Å) Fe–C bond length. The Fe–S bond length is 2.24 Å. In the second Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to three C+1.60+ and one S2- atom. There is one shorter (1.79 Å) and two longer (1.80 Å) Fe–C bond length. The Fe–S bond length is 2.24 Å. In the third Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to three C+1.60+ and one S2- atom. There is one shorter (1.78 Å) and two longer (1.80 Å) Fe–C bond length. The Fe–S bond length is 2.25 Å. There are nine inequivalent C+1.60+ sites. In the first C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.15 Å. In the fifth C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+1.60+ site, C+1.60+ is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. S2- is bonded in a 3-coordinate geometry to three Fe2+ atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom.
RuBr2(CO)3 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules and two RuBr2 clusters. In each RuBr2 cluster, Ru4+ is bonded in a 6-coordinate geometry to three Br1- atoms. There are one shorter (2.59 Å) and two longer (2.64 Å) Ru–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ru4+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Ru4+ atoms.
WFe3C9S2O9(CO)5 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules and four WFe3C9S2O9 clusters. In each WFe3C9S2O9 cluster, W6+ is bonded in a single-bond geometry to one S2- atom. The W–S bond length is 2.54 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to three C+1.21+ and two S2- atoms to form distorted edge-sharing FeC3S2 trigonal bipyramids. There is two shorter (1.78 Å) and one longer (1.81 Å) Fe–C bond length. There are one shorter (2.27 Å) and one longer (2.30 Å) Fe–S bond lengths. In the second Fe3+ site, Fe3+ is bonded to three C+1.21+ and two S2- atoms to form distorted edge-sharing FeC3S2 square pyramids. There are a spread of Fe–C bond distances ranging from 1.78–1.83 Å. There are one shorter (2.24 Å) and one longer (2.26 Å) Fe–S bond lengths. There are five inequivalent C+1.21+ sites. In the first C+1.21+ site, C+1.21+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+1.21+ site, C+1.21+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.21+ site, C+1.21+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C+1.21+ site, C+1.21+ is bonded in a linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.21+ site, C+1.21+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one W6+ and three Fe3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Fe3+ atoms. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.21+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.21+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.21+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.21+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.21+ atom.
WCOBr2(CO)3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of six formaldehyde molecules and one WCOBr2 cluster. In the WCOBr2 cluster, there are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are one shorter (2.68 Å) and two longer (2.78 Å) W–Br bond lengths. In the second W2+ site, W2+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are one shorter (2.69 Å) and two longer (2.78 Å) W–Br bond lengths. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.15 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C2+ and one Br1- atom. The O–Br bond length is 3.31 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one C2+ and one Br1- atom. The O–Br bond length is 3.30 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to two W2+ atoms. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to two W2+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to one W2+ and one O2- atom. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to one W2+ and one O2- atom.
(WBr2)2(CO)7 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twenty-eight formaldehyde molecules and four WBr2 clusters. In each WBr2 cluster, there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are two shorter (2.71 Å) and one longer (2.74 Å) W–Br bond lengths. In the second W6+ site, W6+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are a spread of W–Br bond distances ranging from 2.69–2.78 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two W6+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two W6+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one W6+ atom.
RuRu4C5S2O5(CO)9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, four ruthenium molecules, and two Ru4C5S2O5 clusters. In each Ru4C5S2O5 cluster, there are four inequivalent Ru+3.20+ sites. In the first Ru+3.20+ site, Ru+3.20+ is bonded in a distorted rectangular see-saw-like geometry to two C+1.14+ and two S2- atoms. There is one shorter (1.86 Å) and one longer (1.87 Å) Ru–C bond length. There are one shorter (2.52 Å) and one longer (2.54 Å) Ru–S bond lengths. In the second Ru+3.20+ site, Ru+3.20+ is bonded in a distorted rectangular see-saw-like geometry to two C+1.14+ and two S2- atoms. There is one shorter (1.86 Å) and one longer (1.87 Å) Ru–C bond length. Both Ru–S bond lengths are 2.52 Å. In the third Ru+3.20+ site, Ru+3.20+ is bonded in a 5-coordinate geometry to two S2- atoms. Both Ru–S bond lengths are 2.50 Å. In the fourth Ru+3.20+ site, Ru+3.20+ is bonded in a 5-coordinate geometry to two S2- atoms. Both Ru–S bond lengths are 2.50 Å. There are five inequivalent C+1.14+ sites. In the first C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one Ru+3.20+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one Ru+3.20+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one Ru+3.20+ and one O2- atom. The C–O bond length is 1.17 Å. In the fifth C+1.14+ site, C+1.14+ is bonded in a single-bond geometry to one Ru+3.20+ and one O2- atom. The C–O bond length is 1.17 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ru+3.20+ and one O2- atom. The S–O bond length is 3.49 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ru+3.20+ and one O2- atom. The S–O bond length is 3.45 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ and one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ and one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ atom.
W3Te2(CO)6(CO)9 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P4_12_12 space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules and four W3Te2(CO)6 clusters. In each W3Te2(CO)6 cluster, there are two inequivalent W+4.67+ sites. In the first W+4.67+ site, W+4.67+ is bonded in a distorted single-bond geometry to one Te2- atom. The W–Te bond length is 2.83 Å. In the second W+4.67+ site, W+4.67+ is bonded in a 2-coordinate geometry to two equivalent Te2- atoms. Both W–Te bond lengths are 3.00 Å. There are three inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one Te2- and one O2- atom. The C–Te bond length is 3.06 Å. The C–O bond length is 1.16 Å. In the third C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. Te2- is bonded in a 2-coordinate geometry to two W+4.67+, one C+1.33+, one Te2-, and two O2- atoms. The Te–Te bond length is 2.78 Å. There are one shorter (3.42 Å) and one longer (3.81 Å) Te–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ and one Te2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ and one Te2- atom.
WFeC3Sb2Se2(OF4)3(CO)5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of twenty formaldehyde molecules and one WFeC3Sb2Se2(OF4)3 sheet oriented in the (0, 0, 1) direction. In the WFeC3Sb2Se2(OF4)3 sheet, W3+ is bonded in a 1-coordinate geometry to two Se2- atoms. There are one shorter (2.67 Å) and one longer (2.68 Å) W–Se bond lengths. Fe3+ is bonded in a distorted square pyramidal geometry to three C4+ and two Se2- atoms. All Fe–C bond lengths are 1.83 Å. There are one shorter (2.38 Å) and one longer (2.40 Å) Fe–Se bond lengths. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.14 Å. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.14 Å. In the third C4+ site, C4+ is bonded in a single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.14 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. In the second Sb3- site, Sb3- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to one W3+, one Fe3+, one Se2-, and two F1- atoms. The Se–Se bond length is 2.35 Å. There are one shorter (2.96 Å) and one longer (3.11 Å) Se–F bond lengths. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to one W3+, one Fe3+, one Se2-, and three F1- atoms. There are a spread of Se–F bond distances ranging from 2.90–3.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3- and one Se2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3- and one Se2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3- and one Se2- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3- and one Se2- atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3- and one Se2- atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom.
(Ru2Te(CO)2)2(CO)7 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of twenty-eight formaldehyde molecules and four Ru2Te(CO)2 clusters. In each Ru2Te(CO)2 cluster, there are two inequivalent Ru+3.50+ sites. In the first Ru+3.50+ site, Ru+3.50+ is bonded in a 5-coordinate geometry to two equivalent Te2- atoms. There are one shorter (2.74 Å) and one longer (2.76 Å) Ru–Te bond lengths. In the second Ru+3.50+ site, Ru+3.50+ is bonded in a 4-coordinate geometry to two equivalent Te2- atoms. Both Ru–Te bond lengths are 2.80 Å. There are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. Te2- is bonded in a 6-coordinate geometry to four Ru+3.50+ and two O2- atoms. There are one shorter (3.54 Å) and one longer (3.81 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom.
(RuFeTe(CO)4)2(CO)3 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of twelve formaldehyde molecules and two RuFeTe(CO)4 sheets oriented in the (0, 0, 1) direction. In each RuFeTe(CO)4 sheet, Ru4+ is bonded in a 4-coordinate geometry to two equivalent Te2- atoms. Both Ru–Te bond lengths are 2.78 Å. Fe3+ is bonded in a 5-coordinate geometry to three C+1.09+ and two equivalent Te2- atoms. There is two shorter (1.78 Å) and one longer (1.80 Å) Fe–C bond length. Both Fe–Te bond lengths are 2.61 Å. There are four inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.09+ site, C+1.09+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.18 Å. In the fourth C+1.09+ site, C+1.09+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ru4+, two equivalent Fe3+, and two O2- atoms. There are one shorter (3.51 Å) and one longer (3.82 Å) Te–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ atom.
OsCl(CO)4 is Cubic alpha N2-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight chloroosmium molecules and thirty-two formaldehyde molecules.
Ru(CO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of forty-eight formaldehyde molecules and twelve ruthenium molecules.
(Ru)3(Bi)2(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight bismuth molecules, thirty-six formaldehyde molecules, and twelve ruthenium molecules.
ReCl2ReCO2SnC(CO)8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 7440-31-5 molecules, four dichlororhenium molecules, thirty-two formaldehyde molecules, four methane molecules, and four ReCO2 clusters. In each ReCO2 cluster, Re5+ is bonded in a distorted single-bond geometry to two O2- atoms. There are one shorter (1.74 Å) and one longer (2.29 Å) Re–O bond lengths. C+0.80+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and one C+0.80+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re5+ atom.
(Ru)4C(CO)13 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-six formaldehyde molecules, two medicinal charcoal molecules, and eight rutenio molecules.
(Fe(CO)4)4(Fe(CO)3)2(Sn)2CO crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four 7440-31-5 molecules, two formaldehyde molecules, four Fe(CO)3 clusters, and eight Fe(CO)4 clusters. In two of the Fe(CO)3 clusters, Fe3+ is bonded in a 3-coordinate geometry to three C+0.87+ atoms. There is one shorter (1.78 Å) and two longer (1.79 Å) Fe–C bond length. There are three inequivalent C+0.87+ sites. In the first C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In two of the Fe(CO)3 clusters, Fe3+ is bonded in a 3-coordinate geometry to three C+0.87+ atoms. There is two shorter (1.79 Å) and one longer (1.80 Å) Fe–C bond length. There are three inequivalent C+0.87+ sites. In the first C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In two of the Fe(CO)4 clusters, Fe3+ is bonded in a distorted see-saw-like geometry to four C+0.87+ atoms. There are a spread of Fe–C bond distances ranging from 1.77–1.81 Å. There are four inequivalent C+0.87+ sites. In the first C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.87+ site, C+0.87+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In two of the Fe(CO)4 clusters, Fe3+ is bonded in a see-saw-like geometry to four C+0.87+ atoms. There are a spread of Fe–C bond distances ranging from 1.77–1.81 Å. There are four inequivalent C+0.87+ sites. In the first C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.87+ site, C+0.87+ is bonded in a linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.87+ site, C+0.87+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+0.87+ site, C+0.87+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In four of the Fe(CO)4 clusters, Fe3+ is bonded in a see-saw-like geometry to four C+0.87+ atoms. There are a spread of Fe–C bond distances ranging from 1.77–1.81 Å. There are four inequivalent C+0.87+ sites. In the first C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.87+ site, C+0.87+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+0.87+ site, C+0.87+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.87+ atom.