Crystallography Open Database

Information card for entry 7246424

Preview

Coordinates	7246424.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C4H11CdCl4N
Formula	C4 H11 Cd Cl4 N
Calculated formula	C4 H11 Cd Cl4 N
Title of publication	High stability and moderate second-order nonlinear optical properties of hybrid lead-free perovskite [(CH3)3NCH2Cl]CdCl3 bulk crystals
Authors of publication	Shen, Chuanying; Liu, Jie; Wu, Kui; Xu, Longyun; Sun, Defu; Dang, Yangyang; Wang, Jiyang; Wang, Duanliang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	15
Pages of publication	2264 - 2270
a	9.4797 ± 0.001 Å
b	15.7695 ± 0.0016 Å
c	6.796 ± 0.0008 Å
α	90°
β	94.474 ± 0.004°
γ	90°
Cell volume	1012.84 ± 0.19 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.0401
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
283211 (current)	2023-05-05	cif/ Updating files of 7246424 Original log message: Adding full bibliography for 7246424.cif.	7246424.cif
281818	2023-03-11	cif/ Adding structures of 7246424 via cif-deposit CGI script.	7246424.cif