Crystallography Open Database

Information card for entry 7032998

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Coordinates	7032998.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	7.528 ± 0.003 Å
b	17.448 ± 0.01 Å
c	6.884 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	904.2 ± 0.9 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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