Crystallography Open Database

Information card for entry 7200546

7200545 << 7200546 >> 7200547

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Coordinates	7200546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H16 Cd Cl3 N3 O2 S
Calculated formula	C5 H16 Cd Cl3 N3 O2 S
Title of publication	Organically templated chained chlorocadmates and cadmium-chloro thiocyanates
Authors of publication	Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	6
Pages of publication	1037
a	7.9957 ± 0.0004 Å
b	9.7477 ± 0.0006 Å
c	10.7688 ± 0.0008 Å
α	63.248 ± 0.004°
β	69.699 ± 0.004°
γ	87.997 ± 0.004°
Cell volume	695.52 ± 0.08 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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