Crystallography Open Database

Information card for entry 4350743

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Coordinates	4350743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H12 Cd Cl3 N
Calculated formula	C5 H12 Cd Cl3 N
Title of publication	Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]
Authors of publication	Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2014
Journal volume	1
Journal issue	1
Pages of publication	118
a	7.533 ± 0.01 Å
b	19.4 ± 0.02 Å
c	6.753 ± 0.009 Å
α	90°
β	93.47 ± 0.02°
γ	90°
Cell volume	985 ± 2 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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