Crystallography Open Database

Information card for entry 7211889

Preview

Coordinates	7211889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 Cd2 N9 S2
Calculated formula	C5 H5 Cd2 N9 S2
Title of publication	Capturing in situ generated NHCH‒NNH molecule via the templating synthesis of a 4-connected open Cd(ii) framework
Authors of publication	Cheng, Jian-Kai; Zhang, Jian; Yin, Pei-Xiu; Lin, Qi-Pu; Li, Zhao-Ji; Yao, Yuan-Gen
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1024
a	10.488 ± 0.004 Å
b	10.212 ± 0.004 Å
c	11.273 ± 0.004 Å
α	90°
β	92.89 ± 0.008°
γ	90°
Cell volume	1205.8 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180449 (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 7/21/18.	7211889.cif
92458	2014-01-12	cif/ Adding structures of 7211889 via cif-deposit CGI script.	7211889.cif