Crystallography Open Database

Information card for entry 7718018

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Coordinates	7718018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 Cl3 Cs O12
Calculated formula	C8.0004 Cl3 Cs 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	7.7239 ± 0.0006 Å
b	7.7239 ± 0.0006 Å
c	7.7239 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	460.8 ± 0.06 Å³
Cell temperature	413 ± 0.1 K
Ambient diffraction temperature	413 ± 0.1 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	0.0723
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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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