Crystallography Open Database

Information card for entry 7720565

7720564 << 7720565 >> 7720566

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Coordinates	7720565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H13 Cl5 N Sb
Calculated formula	C5 H13 Cl5 N Sb
Title of publication	A one-dimensional hybrid ferroelectric exhibiting lone pair stereoactivity based on square pyramid
Authors of publication	Li, Ya-Juan; Tong, Yu-Qiao; Yin, Shi Qing; Gu, Qian Jun; Gong, Peng-Peng; Guo, Yi; Huang, Bo; Zhu, Ai-Xin
Journal of publication	Dalton Transactions
Year of publication	2026
a	13.0163 ± 0.0011 Å
b	9.0703 ± 0.0008 Å
c	11.2869 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1332.6 ± 0.2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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