Structure 1540444

1540443 << 1540444 >> 1540492

Citation: Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing (2016). Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework. Chem. Sci., 7, pp. 759-.

Formula: C15.58 H11.8 Ca O6 S

Chemical name: ?

Cell parameters:

a = 11.8767(11) Å
b = 5.5769(5) Å
c = 22.486(2) Å

α = 90.00°
β = 99.8930(10)°
γ = 90.00°

List type: interleaving

List: 1D

Molecules

CIF datablock 0, entity 1 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C10 H24 (C5 H12)

Multiplicity: 1

Coordination sequences:

1, 6, 17, 10, 16, 18, 16, 18, 16, 18
1, 8, 12, 17, 13, 16, 18, 16, 18, 16
1, 8, 15, 19, 15, 19, 15, 19, 15, 19
1, 9, 10, 16, 15, 16, 18, 16, 18, 16
2, 5, 17, 10, 16, 18, 16, 18, 16, 18
2, 7, 12, 17, 13, 16, 18, 16, 18, 16
3, 7, 19, 12, 19, 15, 19, 15, 19, 15
3, 9, 14, 15, 19, 15, 19, 15, 19, 15
4, 9, 11, 17, 10, 16, 18, 16, 18, 16
4, 9, 14, 19, 12, 19, 15, 19, 15, 19
4, 11, 12, 19, 12, 19, 15, 19, 15, 19
7, 17, 10, 16, 18, 16, 18, 16, 18, 16
7, 19, 15, 19, 15, 19, 15, 19, 15, 19
9, 12, 17, 13, 16, 18, 16, 18, 16, 18
9, 15, 19, 15, 19, 15, 19, 15, 19, 15
10, 10, 16, 15, 16, 18, 16, 18, 16, 18

span 1 {1 1 1}

highlight edges

CIF datablock 1, entity 2 of 2