Crystallography Open Database

Information card for entry 4004065

Preview

Coordinates	4004065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cd I4 N4 O2
Calculated formula	C24 H22 Cd I4 N4 O2
Title of publication	A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric
Authors of publication	Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia
Journal of publication	Chemistry of Materials
Year of publication	2022
Journal volume	34
Journal issue	4
Pages of publication	1737 - 1745
a	20.5433 ± 0.0007 Å
b	9.6018 ± 0.0003 Å
c	15.8277 ± 0.0004 Å
α	90°
β	102.817 ± 0.003°
γ	90°
Cell volume	3044.27 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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