Crystallography Open Database

Information card for entry 7248359

Preview

Coordinates	7248359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Cl3 Cu N2 O2 P2
Calculated formula	C48 H42 Cl3 Cu N2 O2 P2
SMILES	[Cu]1([P](c2ccccc2)(c2c(Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)cccc2)c1ccccc1)(Cl)[n]1ccc(c2ccncc2)cc1.ClCCl.OC
Title of publication	Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand
Authors of publication	Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	17
Pages of publication	2297 - 2305
a	15.5297 ± 0.0001 Å
b	19.398 ± 0.0002 Å
c	15.0582 ± 0.0001 Å
α	90°
β	99.942 ± 0.001°
γ	90°
Cell volume	4468.09 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291589 (current)	2024-05-05	cif/ Updating files of 7248357, 7248358, 7248359 Original log message: Adding full bibliography for 7248357--7248359.cif.	7248359.cif
290700	2024-03-29	cif/ Adding structures of 7248357, 7248358, 7248359 via cif-deposit CGI script.	7248359.cif