Structure 7705025

7705019 << 7705025 >> 7705035

Citation: Liu, Xiaoshuang; Xue, Chaozhuang; Wang, Xiang; Zhang, Jiaxu; Wu, Tao (2020). Controllable incorporation of 1,2,4-triazolate into cluster-based metal-chalcogenide frameworks.. Dalton transactions (Cambridge, England : 2003), 49, pp. 11489-11492.

Formula: C47 H87 In10 N13 S17

Chemical name: SCIF-2

Cell parameters:

a = 20.887(4) Å
b = 22.592(5) Å
c = 33.244(7) Å

α = 90.00(3)°
β = 90.00(3)°
γ = 90.00(3)°

List type: interleaving

List: 3D

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C8 H8 In40 N12 S68 (C2 H2 In10 N3 S17)

Multiplicity: 1

Coordination sequences:

1, 2, 3, 5, 6, 9, 12, 16, 14, 13
1, 2, 4, 7, 6, 12, 12, 20, 8, 19
2, 4, 5, 6, 9, 12, 16, 14, 14, 16
2, 6, 6, 12, 7, 13, 13, 23, 14, 26
2, 6, 6, 12, 8, 13, 11, 20, 12, 25
2, 6, 6, 12, 8, 14, 10, 19, 13, 25
2, 6, 6, 12, 12, 20, 10, 20, 12, 24
2, 6, 7, 12, 6, 10, 9, 19, 16, 29
2, 6, 7, 12, 7, 11, 6, 15, 15, 28
2, 6, 7, 13, 5, 10, 9, 18, 17, 29
2, 6, 7, 13, 6, 10, 7, 15, 15, 28
3, 3, 5, 6, 9, 12, 16, 14, 13, 18
3, 4, 7, 6, 12, 12, 20, 8, 19, 15
3, 6, 5, 9, 9, 16, 10, 20, 11, 24
3, 7, 4, 9, 9, 16, 10, 19, 12, 25
3, 9, 6, 9, 5, 10, 10, 19, 16, 29
3, 9, 6, 9, 5, 11, 9, 18, 17, 29
3, 9, 6, 9, 6, 11, 7, 15, 15, 28
4, 4, 9, 9, 16, 11, 20, 11, 22, 18
4, 5, 9, 8, 13, 7, 16, 13, 25, 19
4, 5, 10, 7, 13, 7, 15, 14, 25, 19
4, 6, 12, 5, 10, 10, 19, 15, 26, 16
4, 6, 12, 6, 10, 8, 16, 13, 25, 20
4, 6, 12, 6, 11, 7, 15, 14, 25, 20
4, 6, 12, 7, 11, 5, 12, 12, 24, 24

span 1 {1 1 1}

highlight edges

CIF datablock 1, entity 2 of 2