Materials Data on Zn(NCl2)2 by Materials Project
ZnCl2(NCl)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight chloramine molecules and four zinc chloride molecules.
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Materials Data on ZnC4(NCl2)2 by Materials Project
ZnC2NCl3ClCCN crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloromethyl(methylidyne)azanium molecules and four ZnC2NCl3 clusters. In each ZnC2NCl3 cluster, Zn2+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.11–2.38 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two Cl1- atoms. The C–N bond length is 1.36 Å. There are one shorter (1.96 Å) and one longer (2.17 Å) C–Cl bond lengths. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.20 Å. N3- is bonded in a linear geometry to two C2+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Zn2+ and one C2+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Zn2+ and one C2+ atom.
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Materials Data on ZnH6C2(NCl2)2 by Materials Project
CH4ZnCl3NCNHHCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, four hydrogen cyanide molecules, four methane molecules, and four ZnCl3N clusters. In each ZnCl3N cluster, Zn2+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.18–2.22 Å. N3- is bonded in a distorted L-shaped geometry to two Cl1- atoms. There are one shorter (3.21 Å) and one longer (3.27 Å) N–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ and one N3- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ and one N3- atom.
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Materials Data on ZnC8(NCl2)2 by Materials Project
ZnC2Cl3C2NC3NCCl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four aziridine, 1-methyl- molecules; four ch3nc molecules; four chloromethane molecules; and four ZnC2Cl3 clusters. In each ZnC2Cl3 cluster, Zn2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are one shorter (2.09 Å) and two longer (2.32 Å) Zn–Cl bond lengths. C1+ is bonded in a single-bond geometry to one Cl1- atom. The C–Cl bond length is 1.78 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to one Zn2+ and one C1+ atom.
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Materials Data on ZnC8(NCl2)2 by Materials Project
CZnC2Cl3C2NCNC2Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ch3nc molecules, four chloromethane;methane molecules, four hydrogen cyanide molecules, four methane molecules, and four ZnC2Cl3 clusters. In each ZnC2Cl3 cluster, Zn2+ is bonded in a distorted trigonal planar geometry to three Cl1- atoms. There are one shorter (2.13 Å) and two longer (2.26 Å) Zn–Cl bond lengths. C1+ is bonded in a distorted single-bond geometry to one Cl1- atom. The C–Cl bond length is 2.32 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one Zn2+ and one C1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.
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