Crystallography Open Database

Information card for entry 7712047

7712046 << 7712047 >> 7712048

Preview

Coordinates	7712047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 Bi Br5 O S3
Calculated formula	C8 H24 Bi Br5 O S3
Title of publication	Solvent-mediated crystallization of (TMS)<sub>2</sub>BiBr<sub>5</sub>·DMSO: a new 0D hybrid halide perovskite.
Authors of publication	Das, Suman S.; Pradhan, Abinash; Samal, Saroj L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1777 - 1784
a	8.2321 ± 0.0003 Å
b	9.2196 ± 0.0003 Å
c	15.2213 ± 0.0004 Å
α	89.117 ± 0.003°
β	88.201 ± 0.002°
γ	78.949 ± 0.003°
Cell volume	1133.21 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
283308 (current)	2023-05-05	cif/ Updating files of 7712047 Original log message: Adding full bibliography for 7712047.cif.	7712047.cif
280113	2023-01-05	cif/ Adding structures of 7712047 via cif-deposit CGI script.	7712047.cif