Crystallography Open Database

Information card for entry 7247811

Preview

Coordinates	7247811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 Bi Br1.15 Cl3.85 N2
Calculated formula	C4 H16 Bi Br1.149 Cl3.851 N2
Title of publication	(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties
Authors of publication	Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	3
Pages of publication	312 - 323
a	17.6291 ± 0.0003 Å
b	21.9787 ± 0.0004 Å
c	7.512 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2910.63 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
289452 (current)	2024-02-04	cif/ Updating files of 7247803, 7247804, 7247805, 7247806, 7247807, 7247808, 7247809, 7247810, 7247811, 7247812 Original log message: Adding full bibliography for 7247803--7247812.cif.	7247811.cif
287949	2023-12-03	cif/ Adding structures of 7247803, 7247804, 7247805, 7247806, 7247807, 7247808, 7247809, 7247810, 7247811, 7247812 via cif-deposit CGI script.	7247811.cif