Crystallography Open Database

Information card for entry 7209095

7209094 << 7209095 >> 7209096

Preview

Coordinates	7209095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cd N4 O4 S2
Calculated formula	C30 H10 Cd N4 O4 S2
Title of publication	Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions
Authors of publication	Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	2
Pages of publication	343
a	13.655 ± 0.003 Å
b	13.995 ± 0.003 Å
c	13.136 ± 0.003 Å
α	90°
β	94.14 ± 0.03°
γ	90°
Cell volume	2503.8 ± 1 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	0.0781
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1873
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.322
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7209095.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7209095.cif
73583	2013-02-20	cif/ Adding structures of 7209094, 7209095, 7209096 via cif-deposit CGI script.	7209095.cif