Crystallography Open Database

Information card for entry 7134347

Preview

Coordinates	7134347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H46 Br3 Cu O P2
Calculated formula	C42 H46 Br3 Cu O P2
Title of publication	Halogen and solvent effects induced structural transformation and isostructural luminescence regulation in copper-based hybrid halides
Authors of publication	Yang, Lin; Li, Yani; Liu, Xia; Li, Bohan; Xu, Yan
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	36
Pages of publication	6619 - 6622
a	10.1684 ± 0.0003 Å
b	23.201 ± 0.0006 Å
c	17.4735 ± 0.0005 Å
α	90°
β	105.108 ± 0.003°
γ	90°
Cell volume	3979.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300498 (current)	2025-07-06	cif/ Updating files of 7134347, 7134348, 7134349, 7134350, 7134351, 7134352 Original log message: Adding full bibliography for 7134347--7134352.cif.	7134347.cif
298575	2025-03-26	cif/ Adding structures of 7134347, 7134348, 7134349, 7134350, 7134351, 7134352 via cif-deposit CGI script.	7134347.cif