Crystallography Open Database

Information card for entry 7042765

Preview

Coordinates	7042765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H53 Cu F6 N2 O1.5 P3
Calculated formula	C67 H53 Cu F6 N2 O1.5 P3
Title of publication	The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes
Authors of publication	Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann
Journal of publication	Dalton Trans.
Year of publication	2017
a	13.003 ± 0.0009 Å
b	14.4788 ± 0.001 Å
c	16.9143 ± 0.0011 Å
α	72.11 ± 0.003°
β	84.932 ± 0.004°
γ	75.976 ± 0.004°
Cell volume	2939.8 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0761
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for all reflections	0.1737
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.0983
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195738 (current)	2017-04-25	cif/ Adding structures of 7042761, 7042762, 7042763, 7042764, 7042765 via cif-deposit CGI script.	7042765.cif