Crystallography Open Database

Information card for entry 7249939

Preview

Coordinates	7249939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 Cd4 Cl12 N4
Calculated formula	C20 H40 Cd4 Cl12 N4
Title of publication	High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals
Authors of publication	Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	11
Pages of publication	1534 - 1540
a	17.6713 ± 0.0011 Å
b	6.7314 ± 0.0003 Å
c	18.1716 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2161.6 ± 0.2 Å³
Cell temperature	403.02 ± 0.1 K
Ambient diffraction temperature	403.02 ± 0.1 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2809
Weighted residual factors for all reflections included in the refinement	0.3203
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298865 (current)	2025-04-05	cif/ Updating files of 7249938, 7249939, 7249940, 7249941 Original log message: Adding full bibliography for 7249938--7249941.cif.	7249939.cif
297709	2025-02-13	cif/ Adding structures of 7249938, 7249939, 7249940, 7249941 via cif-deposit CGI script.	7249939.cif