Crystallography Open Database

Information card for entry 7221582

Preview

Coordinates	7221582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cd N6 O8 S
Calculated formula	C20 H22 Cd N6 O8 S
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	9.4744 ± 0.0004 Å
b	17.5789 ± 0.0008 Å
c	14.41 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2399.98 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	0.873
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7221582.html