Crystallography Open Database

Information card for entry 7718022

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Coordinates	7718022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 Cl3 K O12
Calculated formula	C8.0004 Cl3 K O12
Title of publication	Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.
Authors of publication	Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	11
Pages of publication	4706 - 4714
a	7.5772 ± 0.001 Å
b	7.5772 ± 0.001 Å
c	7.5772 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	435.04 ± 0.1 Å³
Cell temperature	422.9 ± 0.2 K
Ambient diffraction temperature	422.9 ± 0.2 K
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.125
Weighted residual factors for significantly intense reflections	0.306
Weighted residual factors for all reflections included in the refinement	0.3117
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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