Crystallography Open Database

Information card for entry 7250635

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Coordinates	7250635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H5 Br4 N2 S Sb
Calculated formula	C3 H5 Br4 N2 S Sb
Title of publication	Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites
Authors of publication	Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	20
Pages of publication	3320 - 3325
a	13.5885 ± 0.0009 Å
b	13.4694 ± 0.001 Å
c	7.5873 ± 0.0005 Å
α	90°
β	120.686 ± 0.006°
γ	90°
Cell volume	1194.25 ± 0.16 Å³
Cell temperature	387.9 ± 0.3 K
Ambient diffraction temperature	387.9 ± 0.3 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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