Materials Data on SbC(N3Cl2)3 by Materials Project
CN9SbCl6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CN9 clusters and four SbCl6 clusters. In each CN9 cluster, C4+ is bonded in a trigonal planar geometry to three N+0.33- atoms. There is one shorter (1.35 Å) and two longer (1.36 Å) C–N bond length. There are nine inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a single-bond geometry to one N+0.33- atom. The N–N bond length is 1.13 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.26 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one C4+ and one N+0.33- atom. The N–N bond length is 1.26 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one C4+ and one N+0.33- atom. In the fifth N+0.33- site, N+0.33- is bonded in a single-bond geometry to one N+0.33- atom. The N–N bond length is 1.13 Å. In the sixth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one C4+ and one N+0.33- atom. The N–N bond length is 1.26 Å. In the seventh N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one N+0.33- atom. The N–N bond length is 1.13 Å. In the eighth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In the ninth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.41–2.43 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.