Materials Data on C2N2O by Materials Project
C2NNO crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six amino(methylidyne)azanium molecules and six formaldehyde molecules.
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Materials Data on NiH20C12S2(NO4)2 by Materials Project
NiC4H4(SO2)2(C3NH6)2(CO)2(H2O)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four formaldehyde molecules, four trimethylamine molecules, four water molecules, and two NiC4H4(SO2)2 clusters. In each NiC4H4(SO2)2 cluster, Ni2+ is bonded in an octahedral geometry to two equivalent S2- and four O2- atoms. Both Ni–S bond lengths are 2.49 Å. There are two shorter (2.13 Å) and two longer (2.15 Å) Ni–O bond lengths. There are two inequivalent C+0.33+ sites. In the first C+0.33+ site, C+0.33+ is bonded in a single-bond geometry to one S2- atom. The C–S bond length is 1.67 Å. In the second C+0.33+ site, C+0.33+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in an L-shaped geometry to one Ni2+ and one C+0.33+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and one C+0.33+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms.
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Materials Data on MnPCO4 by Materials Project
MnPO3CO crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of four formaldehyde molecules and two MnPO3 sheets oriented in the (0, 0, 1) direction. In each MnPO3 sheet, Mn7+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Mn–O bond distances ranging from 2.02–2.05 Å. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn7+ and one P5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one Mn7+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P5+ atom.
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Materials Data on MoC4IO4 by Materials Project
MoI(CO)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of sixteen formaldehyde molecules and two MoI clusters. In one of the MoI clusters, Mo6+ is bonded in a distorted water-like geometry to two equivalent I1- atoms. There are one shorter (2.89 Å) and one longer (2.90 Å) Mo–I bond lengths. I1- is bonded in a 4-coordinate geometry to two equivalent Mo6+ atoms. In one of the MoI clusters, Mo6+ is bonded in a distorted water-like geometry to two equivalent I1- atoms. Both Mo–I bond lengths are 2.89 Å. I1- is bonded in a 2-coordinate geometry to two equivalent Mo6+ atoms.
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Materials Data on HRuRh(CO)6 by Materials Project
RhRu2RhH2(CO)12 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-four formaldehyde molecules, two rhodium molecules, and two Ru2RhH2 clusters. In each Ru2RhH2 cluster, there are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in an L-shaped geometry to two H1+ atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) Ru–H bond length. In the second Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.83 Å. Rh3+ is bonded in a distorted single-bond geometry to one H1+ atom. The Rh–H bond length is 1.78 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to one Ru2+ and one Rh3+ atom. In the second H1+ site, H1+ is bonded in a bent 120 degrees geometry to two Ru2+ atoms.
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Materials Data on C20Cl18O by Materials Project
(C)4CO(CCl)14CCl4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two carbon tetrachloride molecules, twenty-eight chloromethane molecules, two formaldehyde molecules, and eight methane molecules.
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Materials Data on MnRe(CO)10 by Materials Project
ReMn(CO)5(CO)5 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules, four rhenium molecules, and four Mn(CO)5 clusters. In each Mn(CO)5 cluster, Mn2+ is bonded in a square pyramidal geometry to five C+1.40+ atoms. There are a spread of Mn–C bond distances ranging from 1.81–1.87 Å. There are five inequivalent C+1.40+ sites. In the first C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom.
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Materials Data on TeH15C5NOF6 by Materials Project
N(CH3)4CH2OHTeF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four formaldehyde molecules, four tetramethylammonium molecules, and four HTeF6 clusters. In each HTeF6 cluster, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (0.99 Å) and one longer (1.43 Å) H–F bond length. Te2- is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.91–2.17 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one H1+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te2- atom. In the sixth F1- site, F1- is bonded in a distorted water-like geometry to one H1+ and one Te2- atom.
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Materials Data on NiRu5C17O16 by Materials Project
(Ru)5NiCOC(CO)15 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty formaldehyde molecules; two methane molecules; two nickel, hydroxymethyl- molecules; and ten ruthenium molecules.
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Materials Data on Fe(CO)5 by Materials Project
Fe(CO)5 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules and four iron molecules.
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Materials Data on Si6C8N2O19 by Materials Project
(C3N)4(Si3O7)4(CO)4(O2)3 crystallizes in the orthorhombic Iba2 space group. The structure is two-dimensional and consists of eight formaldehyde molecules; eight methyleneaziridine molecules; four trioxidane molecules; and two Si3O7 sheets oriented in the (0, 0, 1) direction. In each Si3O7 sheet, there are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.69 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.69 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms.
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Materials Data on Ga2P4C6NO14 by Materials Project
(GaPO4)2C4P2NO4(CO)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight formaldehyde molecules; four C4P2NO4 clusters; and two GaPO4 sheets oriented in the (1, 0, 0) direction. In each C4P2NO4 cluster, there are two inequivalent C+0.83+ sites. In the first C+0.83+ site, C+0.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.55 Å. In the second C+0.83+ site, C+0.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.69 Å. P5+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.46 Å) and one longer (1.47 Å) P–O bond length. N3- is bonded in a 2-coordinate geometry to four C+0.83+ and two equivalent O2- atoms. Both N–O bond lengths are 3.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ and one N3- atom. In each GaPO4 sheet, Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.82–1.96 Å. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.53 Å) and one longer (1.54 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Ga3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one P5+ atom.
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Materials Data on HW2C9NO10 by Materials Project
W2HW2H(NO)2(CO)18 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, two W2H clusters, and two W2H(NO)2 clusters. In each W2H cluster, W5+ is bonded in a single-bond geometry to one H1+ atom. The W–H bond length is 1.92 Å. H1+ is bonded in a bent 120 degrees geometry to two equivalent W5+ atoms. In each W2H(NO)2 cluster, W5+ is bonded in a linear geometry to one N3- and one H1+ atom. The W–N bond length is 1.90 Å. The W–H bond length is 1.95 Å. N3- is bonded in a linear geometry to one W5+ and one O2- atom. The N–O bond length is 1.17 Å. H1+ is bonded in a bent 120 degrees geometry to two equivalent W5+ atoms. O2- is bonded in a single-bond geometry to one N3- atom.
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Materials Data on InRe2(CO)9 by Materials Project
(Re)2In(CO)9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, four indium molecules, and eight rhenium molecules.
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Materials Data on Cd(CO)6 by Materials Project
CdC4(CO)2(O2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four divinylcadmium molecules, eight formaldehyde molecules, four hydrogen peroxide molecules, and eight water molecules.
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Materials Data on C3Br2O by Materials Project
CO(BrC)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight bromomethane molecules and four formaldehyde molecules.
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Materials Data on Rh(CO)3 by Materials Project
Rh(CO)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of forty-eight formaldehyde molecules and sixteen rhodium molecules.
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Materials Data on C3Cl2O by Materials Project
CO(CCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight chloromethane molecules and four formaldehyde molecules.
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