Crystallography Open Database

Information card for entry 4350638

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Structure parameters

Common name	[(C6F5)2TAP]CuC2H4
Formula	C22 H4 Cu F24 N3
Calculated formula	C22 H4 Cu F24 N3
SMILES	[Cu]12(N(C(=NC(=[N]1c1c(c(c(c(c1F)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(c(c(c(c1F)F)F)F)F)[CH2]=[CH2]2
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	11.6782 ± 0.0005 Å
b	21.132 ± 0.0008 Å
c	11.3774 ± 0.0004 Å
α	90°
β	106.438 ± 0.001°
γ	90°
Cell volume	2692.99 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0998
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
301841 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/35/ Each referenced PubChem compound corresponds to the full crystal structure.	4350638.cif
239974	2019-11-25	cif/ Adding structures of 4350635, 4350636, 4350637, 4350638 via cif-deposit CGI script.	4350638.cif