Crystallography Open Database

Information card for entry 7239194

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Coordinates	7239194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Br2 Cd N4 S2
Calculated formula	C15 H16 Br2 Cd N4 S2
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	10.9674 ± 0.0007 Å
b	18.1011 ± 0.0009 Å
c	4.9514 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	982.96 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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