Crystallography Open Database

Information card for entry 7249938

Preview

Coordinates	7249938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Cd2 Cl6 N2
Calculated formula	C10 H20 Cd2 Cl6 N2
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	6.664 ± 0.0009 Å
b	17.112 ± 0.002 Å
c	18.366 ± 0.003 Å
α	90°
β	97.266 ± 0.011°
γ	90°
Cell volume	2077.5 ± 0.5 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7249938.cif
297709	2025-02-13	cif/ Adding structures of 7249938, 7249939, 7249940, 7249941 via cif-deposit CGI script.	7249938.cif