Crystallography Open Database

Information card for entry 7214932

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Coordinates	7214932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cd2 Cl0 N8 S8
Calculated formula	C16 H10 Cd2 N8 S8
Title of publication	New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization
Authors of publication	Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8000
a	5.8896 ± 0.0012 Å
b	13.286 ± 0.003 Å
c	17.001 ± 0.003 Å
α	85.77 ± 0.03°
β	81.61 ± 0.03°
γ	87.58 ± 0.03°
Cell volume	1311.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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