Crystallography Open Database

Information card for entry 4334290

Preview

Coordinates	4334290.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(1)(CO)]PF6
Formula	C31 H21 Cu F18 N3 O P
Calculated formula	C31 H21 Cu F17.96 N3 O P
Title of publication	New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure
Authors of publication	Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3765 - 3771
a	15.1661 ± 0.0001 Å
b	15.1661 ± 0.0001 Å
c	15.1661 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3488.36 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179445 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334290.cif
100107	2014-02-04	cif/ Adding structures of 4334290 via cif-deposit CGI script.	4334290.cif