Crystallography Open Database

Information card for entry 7205951

7205950 << 7205951 >> 7205952

Preview

Coordinates	7205951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H7 Cd I N2 O S2
Calculated formula	C4 H7 Cd I N2 O S2
Title of publication	New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups
Authors of publication	Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2942
a	4.2002 ± 0.0008 Å
b	20.158 ± 0.004 Å
c	12.441 ± 0.003 Å
α	90°
β	96.58 ± 0.03°
γ	90°
Cell volume	1046.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0254
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.0423
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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