Crystallography Open Database

Information card for entry 4350636

Preview

Coordinates	4350636.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(CF3,F-Ph)2TAP]CuCO(CH3CN)
Formula	C25 H9 Cu F22 N4 O
Calculated formula	C25 H9 Cu F22 N4 O
Title of publication	Syntheses of highly fluorinated 1,3,5-triazapentadienyl ligands and their use in the isolation of copper(I)-carbonyl and copper(I)-ethylene complexes.
Authors of publication	Dias, H. V. Rasika; Singh, Shreeyukta; Flores, Jaime A.
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	22
Pages of publication	8859 - 8861
a	12.6364 ± 0.0007 Å
b	21.8933 ± 0.0012 Å
c	10.8052 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2989.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
239974 (current)	2019-11-25	cif/ Adding structures of 4350635, 4350636, 4350637, 4350638 via cif-deposit CGI script.	4350636.cif