Crystallography Open Database

Information card for entry 7044280

Preview

Coordinates	7044280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H69 Cl3 Cu2 N8 O10.5 P4
Calculated formula	C73 H59 Cl3 Cu2 N8 O10.5 P4
Title of publication	Structural diversity in Cu(I) complexes of the PNP ligand: from pincer to binuclear coordination modes and their effects upon the electrochemical and photophysical properties.
Authors of publication	Arce, Pablo; Vera , Cristian M.; Escudero, Dayra L.; Guerrero, Juan; Lappin, Alexander G.; Oliver, Allen Grayson; Jara, Danilo H.; Ferraudi, G.; Lemus, Luis A.
Journal of publication	Dalton Trans.
Year of publication	2017
a	12.8814 ± 0.0018 Å
b	14.442 ± 0.002 Å
c	22.538 ± 0.003 Å
α	107.055 ± 0.002°
β	94.26 ± 0.002°
γ	111.323 ± 0.002°
Cell volume	3656.2 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0525
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287876 (current)	2023-11-30	cif/ Removed multiple data items with misspelt data names since the same information is already conveyed using proper data items.	7044280.cif
201057	2017-09-20	cif/ Adding structures of 7044280, 7044281, 7044282, 7044283 via cif-deposit CGI script.	7044280.cif