Crystallography Open Database

Information card for entry 4350637

Preview

Coordinates	4350637.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(CF3,F-Ph)2TAP]CuCO
Formula	C23 H6 Cu F22 N3 O
Calculated formula	C23 H6 Cu F22 N3 O
SMILES	[Cu]1(N(C(=NC(=[N]1c1c(cccc1C(F)(F)F)F)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)c1c(cccc1C(F)(F)F)F)C#[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	24.6256 ± 0.0016 Å
b	9.7507 ± 0.0006 Å
c	25.1455 ± 0.0016 Å
α	90°
β	113.278 ± 0.001°
γ	90°
Cell volume	5546.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1461
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
239974 (current)	2019-11-25	cif/ Adding structures of 4350635, 4350636, 4350637, 4350638 via cif-deposit CGI script.	4350637.cif