Crystallography Open Database

Information card for entry 7247634

Preview

Coordinates	7247634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 Br3 P Pb
Calculated formula	C21 H22 Br3 P Pb
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	13.3422 ± 0.0012 Å
b	8.1688 ± 0.0008 Å
c	21.4738 ± 0.0018 Å
α	90°
β	95.977 ± 0.008°
γ	90°
Cell volume	2327.7 ± 0.4 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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.	7247634.cif
287228	2023-11-02	cif/ Adding structures of 7247629, 7247630, 7247631, 7247632, 7247633, 7247634 via cif-deposit CGI script.	7247634.cif