Crystallography Open Database

Information card for entry 7247630

Preview

Coordinates	7247630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 Br3 N Pb S
Calculated formula	C9 H10 Br3 N Pb S
Title of publication	Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations
Authors of publication	Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	47
Pages of publication	6556 - 6567
a	17.703 ± 0.001 Å
b	7.827 ± 0.0003 Å
c	20.1031 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2785.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1258
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation probe	x-ray
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
288789 (current)	2024-01-06	cif/ Updating files of 7247629, 7247630, 7247631, 7247632, 7247633, 7247634 Original log message: Adding full bibliography for 7247629--7247634.cif.	7247630.cif
287228	2023-11-02	cif/ Adding structures of 7247629, 7247630, 7247631, 7247632, 7247633, 7247634 via cif-deposit CGI script.	7247630.cif