Crystallography Open Database

Information card for entry 7714829

Preview

Coordinates	7714829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 Br2 Cu2 N4 P2
Calculated formula	C36 H38 Br2 Cu2 N4 P2
Title of publication	Well-defined Cu(I) complexes based on [N,P]-pyrrole ligands catalyzed a highly endoselective 1,3-dipolar cycloaddition.
Authors of publication	Alvarado-Castillo, Miguel A; Cortés-Mendoza, Salvador; Barquera-Lozada, José E; Delgado, Francisco; Toscano, Ruben A.; Ortega-Alfaro, M Carmen; López-Cortés, José G
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	5
Pages of publication	2231 - 2241
a	8.817 ± 0.003 Å
b	9.727 ± 0.003 Å
c	12.564 ± 0.004 Å
α	94.751 ± 0.012°
β	105.422 ± 0.011°
γ	99.772 ± 0.012°
Cell volume	1014.3 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
289478 (current)	2024-02-04	cif/ Updating files of 7714829, 7714830, 7714831, 7714832 Original log message: Adding full bibliography for 7714829--7714832.cif.	7714829.cif
288517	2023-12-23	cif/ Adding structures of 7714829, 7714830, 7714831, 7714832 via cif-deposit CGI script.	7714829.cif