Crystallography Open Database

Information card for entry 7250634

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Coordinates	7250634.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	7.553 ± 0.0007 Å
b	9.3446 ± 0.0006 Å
c	9.6219 ± 0.0007 Å
α	86.478 ± 0.006°
β	66.993 ± 0.008°
γ	71.718 ± 0.007°
Cell volume	592.09 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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