Crystallography Open Database

Information card for entry 7714220

Preview

Coordinates	7714220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H36 Cl Cu N4 O4 P2
Calculated formula	C43 H36 Cl Cu N4 O4 P2
SMILES	c1c2c3cccc[n]3[Cu]([n]2n[nH]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands
Authors of publication	Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.6082 ± 0.0009 Å
b	12.6678 ± 0.0014 Å
c	14.4672 ± 0.0011 Å
α	96.31 ± 0.008°
β	109.918 ± 0.007°
γ	94.522 ± 0.008°
Cell volume	1972.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
286965 (current)	2023-10-14	cif/ Adding structures of 7714220, 7714221, 7714222, 7714223, 7714224 via cif-deposit CGI script.	7714220.cif