Crystallography Open Database

Information card for entry 7037323

Preview

Coordinates	7037323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H68 Cl2 Cu2 F6 N6 O8 P4
Calculated formula	C74 H68 Cl2 Cu2 F6 N6 O8 P4
SMILES	c1cc2c3cc(C(F)(F)F)[nH][n]3[Cu]3([n]2cc1)[P](CCCC[P](c1ccccc1)(c1ccccc1)[Cu]1([n]2ccccc2c2cc(C(F)(F)F)[nH][n]12)[P](CCCC[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2'-pyridyl)pyrazole mixed ligands.
Authors of publication	Chen, Jing-Lin; Guo, Zong-Hao; Yu, Hua-Guang; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	696 - 705
a	13.987 ± 0.004 Å
b	16.724 ± 0.005 Å
c	20.307 ± 0.005 Å
α	90°
β	127.657 ± 0.014°
γ	90°
Cell volume	3760.6 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.1131
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2061
Weighted residual factors for all reflections included in the refinement	0.2285
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
175992 (current)	2016-02-05	cif/ Updating files of 7037321, 7037322, 7037323, 7037324 Original log message: Adding full bibliography for 7037321--7037324.cif.	7037323.cif
170425	2015-11-20	cif/ Adding structures of 7037321, 7037322, 7037323, 7037324 via cif-deposit CGI script.	7037323.cif