Crystallography Open Database

Information card for entry 7239193

Preview

Coordinates	7239193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cd N6 S4
Calculated formula	C16 H12 Cd N6 S4
Title of publication	New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules
Authors of publication	Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	37
Pages of publication	16416
a	5.8652 ± 0.0012 Å
b	11.593 ± 0.002 Å
c	15.295 ± 0.003 Å
α	90°
β	98.44 ± 0.03°
γ	90°
Cell volume	1028.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0222
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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