Crystallography Open Database

Information card for entry 7221580

Preview

Coordinates	7221580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Cd N6 O9 S2
Calculated formula	C22 H24 Cd N6 O9 S2
Title of publication	Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility
Authors of publication	Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	33
Pages of publication	6441
a	8.9864 ± 0.0004 Å
b	15.9532 ± 0.0008 Å
c	20.1727 ± 0.001 Å
α	90°
β	101.463 ± 0.001°
γ	90°
Cell volume	2834.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221580.cif
171086	2015-12-09	cif/ Updating files of 7221578, 7221579, 7221580, 7221581, 7221582 Original log message: Adding full bibliography for 7221578--7221582.cif.	7221580.cif
152147	2015-07-17	cif/ Adding structures of 7221578, 7221579, 7221580, 7221581, 7221582 via cif-deposit CGI script.	7221580.cif