Crystallography Open Database

Information card for entry 7210856

Preview

Coordinates	7210856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Cd N4 O6 S
Calculated formula	C36 H34 Cd N4 O6 S
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	19.456 ± 0.004 Å
b	22 ± 0.004 Å
c	16.095 ± 0.003 Å
α	90°
β	99.83 ± 0.03°
γ	90°
Cell volume	6788 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1262
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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.	7210856.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.	7210856.cif