Crystallography Open Database

Information card for entry 7032999

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Coordinates	7032999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H4 Br3 Cd N S
Calculated formula	C3 H4 Br3 Cd N S
Title of publication	Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3].
Authors of publication	Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	23
Pages of publication	10614 - 10620
a	17.468 ± 0.004 Å
b	7.484 ± 0.005 Å
c	6.882 ± 0.004 Å
α	90°
β	90.53 ± 0.04°
γ	90°
Cell volume	899.6 ± 0.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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