Crystallography Open Database

Information card for entry 7245716

Preview

Coordinates	7245716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 Br Cu N6 O3 P2
Calculated formula	C48 H48 Br Cu N6 O3 P2
SMILES	[Br-].[Cu]12([P](c3ccccc3)(CN(c3ncccc3)C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[n]1c3c4[n]2cccc4c2nccnc2c3ccc1.OC.OC.OC
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	12.9413 ± 0.0001 Å
b	16.4751 ± 0.0001 Å
c	21.8307 ± 0.0002 Å
α	90°
β	100.304 ± 0.001°
γ	90°
Cell volume	4579.44 ± 0.06 Å³
Cell temperature	286 ± 6 K
Ambient diffraction temperature	286 ± 6 K
Number of distinct elements	7
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	0.061
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7245716.cif