Crystallography Open Database

Information card for entry 4004068

Preview

Coordinates	4004068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Br4 Cd N4 O2
Calculated formula	C24 H22 Br4 Cd 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	9.2789 ± 0.0004 Å
b	9.3226 ± 0.0004 Å
c	16.7163 ± 0.0006 Å
α	97.28 ± 0.003°
β	90.319 ± 0.003°
γ	94.783 ± 0.004°
Cell volume	1429.18 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1532
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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