Crystallography Open Database

Information card for entry 7245712

Preview

Coordinates	7245712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H36 Cu I N4 P2
Calculated formula	C43 H36 Cu I N4 P2
SMILES	[I-].[Cu]12([P](CN(c3ncccc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c3c4[n]2cccc4ccc3ccc1
Title of publication	Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions
Authors of publication	Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua
Journal of publication	CrystEngComm
Year of publication	2022
a	11.4117 ± 0.0002 Å
b	12.5516 ± 0.0002 Å
c	13.6513 ± 0.0002 Å
α	90.828 ± 0.001°
β	105.286 ± 0.001°
γ	90.71 ± 0.001°
Cell volume	1885.71 ± 0.05 Å³
Cell temperature	106 ± 9 K
Ambient diffraction temperature	106 ± 9 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
278783 (current)	2022-10-26	cif/ Adding structures of 7245710, 7245711, 7245712, 7245713, 7245714, 7245715, 7245716 via cif-deposit CGI script.	7245712.cif