Crystallography Open Database

Information card for entry 7718020

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Coordinates	7718020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 Cl3 Cs O12
Calculated formula	C8 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	10.583 ± 0.0003 Å
b	10.9576 ± 0.0003 Å
c	15.4652 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1793.41 ± 0.08 Å³
Cell temperature	363 ± 0.1 K
Ambient diffraction temperature	363 ± 0.1 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1141
Residual factor for significantly intense reflections	0.1101
Weighted residual factors for significantly intense reflections	0.2725
Weighted residual factors for all reflections included in the refinement	0.2745
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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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