Crystallography Open Database

Information card for entry 7713099

Preview

Coordinates	7713099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 Cu2 N4 O4
Calculated formula	C50 H56 Cu2 N4 O4
SMILES	[Cu]12[Cu]([N](=Cc3n1c(c1c(OC)cccc1OC)cc3)c1c(cccc1C(C)C)C(C)C)n1c(ccc1c1c(OC)cccc1OC)C=[N]2c1c(cccc1C(C)C)C(C)C
Title of publication	New copper(I) complexes of bulky 5-substituted-2-iminopyrrolyl ligands as catalysts for azide-alkyne cycloaddition
Authors of publication	Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Lopes, Patrícia S.; Lemos, Maria Amélia N. D. A.; Veiros, Luis F.
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.5418 ± 0.0009 Å
b	11.9349 ± 0.0011 Å
c	21.971 ± 0.002 Å
α	83.347 ± 0.006°
β	80.624 ± 0.006°
γ	80.833 ± 0.005°
Cell volume	2681 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1427
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.2177
Goodness-of-fit parameter for all reflections included in the refinement	0.864
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
283882 (current)	2023-05-19	cif/ Adding structures of 7713096, 7713097, 7713098, 7713099 via cif-deposit CGI script.	7713099.cif