Crystallography Open Database

Information card for entry 7022728

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Coordinates	7022728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Cd N6 O6 S3
Calculated formula	C8 H12 Cd N6 O6 S3
Title of publication	New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.
Authors of publication	Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	18
Pages of publication	6429 - 6439
a	17.523 ± 0.004 Å
b	5.8825 ± 0.0017 Å
c	17.164 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1769.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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