Structure 1528940

1528938 << 1528940 >> 1528946

Citation: Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E. (2009). Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br). Kristallografiya, 54, pp. 268-275.

Formula: C180 Br1.18 Cl16

Chemical name: (C60 Cl5)2 (C60 Cl6) (Br2)0.59

Cell parameters:

a = 19.7711 Å
b = 33.8821 Å
c = 29.8685 Å

α = 90°
β = 90°
γ = 90°

List type: interleaving

List: 2D

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: C304 Br8 Cl40 (C38 Br Cl5)

Multiplicity: 1

Coordination sequences:

2, 3, 7, 12, 19, 29, 32, 30, 28, 28
2, 4, 7, 12, 16, 16, 19, 20, 23, 26
2, 5, 9, 14, 21, 20, 21, 26, 34, 36
2, 5, 11, 18, 25, 30, 29, 26, 23, 20
3, 4, 8, 13, 17, 16, 18, 18, 23, 29
3, 5, 8, 9, 14, 12, 15, 15, 12, 10
3, 5, 8, 10, 15, 16, 16, 14, 13, 15
3, 6, 8, 12, 12, 14, 14, 13, 8, 9
3, 6, 8, 14, 22, 22, 27, 30, 30, 32
3, 6, 9, 12, 14, 16, 14, 12, 10, 14
3, 6, 9, 13, 14, 16, 12, 12, 11, 11
3, 6, 9, 14, 15, 18, 16, 16, 17, 21
3, 6, 10, 10, 11, 14, 14, 14, 9, 7
3, 6, 10, 13, 15, 14, 13, 14, 6, 14
3, 6, 11, 13, 14, 15, 13, 15, 14, 15
3, 6, 11, 14, 18, 17, 21, 21, 23, 25
3, 6, 12, 13, 15, 17, 14, 13, 16, 20
3, 7, 8, 11, 13, 14, 16, 10, 10, 12
3, 7, 9, 12, 15, 16, 17, 16, 19, 18
3, 7, 10, 14, 15, 16, 16, 11, 16, 22
3, 7, 10, 14, 15, 19, 20, 20, 21, 23
3, 8, 11, 14, 17, 15, 15, 18, 17, 28
3, 8, 11, 15, 14, 15, 19, 18, 16, 25
3, 8, 13, 18, 17, 23, 23, 26, 28, 27
3, 8, 14, 14, 18, 20, 23, 26, 30, 38
3, 10, 15, 15, 18, 19, 23, 24, 34, 42
3, 10, 17, 18, 15, 14, 17, 24, 31, 44
4, 6, 8, 11, 13, 15, 14, 15, 14, 14
4, 7, 11, 15, 18, 22, 23, 24, 23, 21
4, 8, 11, 14, 14, 15, 16, 15, 19, 26
4, 8, 12, 13, 16, 18, 21, 21, 21, 27
4, 8, 13, 13, 20, 21, 23, 25, 26, 23
4, 10, 10, 14, 15, 18, 19, 15, 21, 30
5, 8, 12, 18, 23, 24, 27, 26, 23, 23
5, 9, 13, 11, 15, 21, 14, 16, 20, 32
5, 9, 13, 16, 18, 15, 20, 21, 29, 39
5, 9, 13, 17, 16, 18, 18, 23, 30, 37
5, 9, 14, 20, 16, 16, 19, 24, 33, 47
5, 10, 12, 12, 18, 17, 18, 20, 25, 38
5, 11, 13, 16, 19, 21, 23, 27, 28, 34
6, 7, 12, 16, 16, 19, 20, 23, 26, 34
6, 8, 12, 14, 15, 18, 14, 17, 19, 31
6, 9, 13, 18, 17, 20, 20, 27, 34, 38
6, 11, 11, 15, 19, 16, 17, 20, 28, 41

span 1 {1 1 1}

highlight edges

CIF datablock 1, entity 2 of 2