Crystallography Open Database

Information card for entry 7250636

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Coordinates	7250636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H5 Bi Br4 N2 S
Calculated formula	C3 H5 Bi Br4 N2 S
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	13.4541 ± 0.0004 Å
b	13.6664 ± 0.0004 Å
c	7.5122 ± 0.0002 Å
α	90°
β	118.77 ± 0.002°
γ	90°
Cell volume	1210.76 ± 0.06 Å³
Cell temperature	393.02 ± 0.1 K
Ambient diffraction temperature	393.02 ± 0.1 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	0.08
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.2079
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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