Crystallography Open Database

Information card for entry 7062087

7062086 << 7062087 >> 7062088

Preview

Coordinates	7062087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32.01 Bi Cl5 N2
Calculated formula	C20 H32.02 Bi Cl5 N2
Title of publication	A zero-dimensional lead-free bismuth-based metal halide: [C6H5(CH2)2CH(NH3)CH3]2BiCl5
Authors of publication	Wei, Wen Juan; Gao, Hong Qiang; Tang, Yun Zhi
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	48
Pages of publication	22999 - 23002
a	18.8036 ± 0.0012 Å
b	12.8175 ± 0.0005 Å
c	12.0035 ± 0.0006 Å
α	90°
β	104.766 ± 0.005°
γ	90°
Cell volume	2797.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
280204 (current)	2023-01-06	cif/ Updating files of 7062087, 7062088 Original log message: Adding full bibliography for 7062087--7062088.cif.	7062087.cif
279483	2022-11-23	cif/ Adding structures of 7062087, 7062088 via cif-deposit CGI script.	7062087.cif