Crystallography Open Database

Information card for entry 7210855

Preview

Coordinates	7210855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H68 N8 O12 S2 Zn2
Calculated formula	C72 H68 N8 O12 S2 Zn2
Title of publication	Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates
Authors of publication	Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	35
Pages of publication	7095
a	14.083 ± 0.003 Å
b	14.906 ± 0.003 Å
c	16.326 ± 0.003 Å
α	97.91 ± 0.03°
β	95.29 ± 0.03°
γ	95.71 ± 0.03°
Cell volume	3358.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1506
Residual factor for significantly intense reflections	0.095
Weighted residual factors for significantly intense reflections	0.2391
Weighted residual factors for all reflections included in the refinement	0.2903
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180439 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/08.	7210855.cif
90136	2013-11-17	cif/ Adding structures of 7210849, 7210850, 7210851, 7210852, 7210853, 7210854, 7210855, 7210856, 7210857, 7210858, 7210859, 7210860, 7210861 via cif-deposit CGI script.	7210855.cif