Materials Data on H3CSNOF2 by Materials Project

CNH3SOF2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CNH3SOF2 clusters. C4+ is bonded to one N1- and three H1+ atoms to form CH3N tetrahedra that share a cornercorner with one SNOF2 tetrahedra. The C–N bond length is 1.46 Å. All C–H bond lengths are 1.10 Å. N1- is bonded in a bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.47 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. S2- is bonded to one N1-, one O2-, and two F1- atoms to form SNOF2 tetrahedra that share a cornercorner with one CH3N tetrahedra. The S–O bond length is 1.42 Å. Both S–F bond lengths are 1.61 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom.

CNH₃SOF₂晶体属于三斜晶系P-1空间群。该结构为零维体系，包含两个CNH₃SOF₂团簇。C⁴+与一个N¹⁻和三个H¹⁺原子成键，形成CH₃N四面体，该四面体与一个SNOF₂四面体共用一个顶角。C-N键长为1.46埃，所有C-H键长均为1.10埃。N¹⁻以120度弯曲构型与一个C⁴+和一个S²⁻原子成键，N-S键长为1.47埃。存在三个不等价的H¹⁺位点：在第一个H¹⁺位点中，H¹⁺以单键构型与一个C⁴+原子成键；第二个H¹⁺位点中，H¹⁺同样以单键构型与一个C⁴+原子成键；第三个H¹⁺位点中，H¹⁺亦以单键构型与一个C⁴+原子成键。S²⁻与一个N¹⁻、一个O²⁻和两个F¹⁻原子成键，形成SNOF₂四面体，该四面体与一个CH₃N四面体共用一个顶角。S-O键长为1.42埃，两条S-F键长均为1.61埃。O²⁻以单键构型与一个S²⁻原子成键。存在两个不等价的F¹⁻位点：在第一个F¹⁻位点中，F¹⁻以单键构型与一个S²⁻原子成键；第二个F¹⁻位点中，F¹⁻同样以单键构型与一个S²⁻原子成键。