Crystallography Open Database

Information card for entry 7713097

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Coordinates	7713097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 Cu F6 N2
Calculated formula	C25 H23 Cu F6 N2
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	18.8775 ± 0.0007 Å
b	16.6289 ± 0.0006 Å
c	16.1945 ± 0.0006 Å
α	90°
β	108.683 ± 0.001°
γ	90°
Cell volume	4815.8 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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