Crystallography Open Database

Information card for entry 7713096

Preview

Coordinates	7713096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H86 Cu2 N4
Calculated formula	C64 H86 Cu2 N4
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	17.148 ± 0.002 Å
b	17.406 ± 0.002 Å
c	25.948 ± 0.003 Å
α	90°
β	105.459 ± 0.006°
γ	90°
Cell volume	7464.7 ± 1.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.1727
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1797
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	0.837
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7713096.html