Crystallography Open Database

Information card for entry 7247805

Preview

Coordinates	7247805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 Bi Br3.13 Cl1.87 N2
Calculated formula	C4 H15 Bi Br3.125 Cl1.875 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	7.767 ± 0.0003 Å
b	22.3242 ± 0.0008 Å
c	18.0376 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3127.58 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7247805.cif
287949	2023-12-03	cif/ Adding structures of 7247803, 7247804, 7247805, 7247806, 7247807, 7247808, 7247809, 7247810, 7247811, 7247812 via cif-deposit CGI script.	7247805.cif