Crystallography Open Database

Information card for entry 7055541

Preview

Coordinates	7055541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 Cl Cu N2 P
Calculated formula	C34 H27 Cl Cu N2 P
SMILES	[Cu]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2c2[n]1cc(cc2)c1ccccc1
Title of publication	Mononuclear heteroleptic complexes of copper(i) with 5-phenyl-2,2′-bipyridine and triphenylphosphine: crystal structures, Hirshfeld surface analysis and luminescence properties
Authors of publication	Safin, Damir A.; Vande Velde, Christophe M. L.; Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	7
Pages of publication	6156
a	16.837 ± 0.002 Å
b	19.023 ± 0.0016 Å
c	19.862 ± 0.003 Å
α	115.622 ± 0.011°
β	101.572 ± 0.012°
γ	90.31 ± 0.009°
Cell volume	5588.8 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0746
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
185568 (current)	2016-08-07	cif/ Updating files of 7055541, 7055542 Original log message: Adding full bibliography for 7055541--7055542.cif.	7055541.cif
182830	2016-05-07	cif/ Adding structures of 7055541, 7055542 via cif-deposit CGI script.	7055541.cif