Crystallography Open Database

Information card for entry 7714831

Preview

Coordinates	7714831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H54 Br2 Cu2 N4 P2
Calculated formula	C32 H54 Br2 Cu2 N4 P2
SMILES	[Br]1[Cu]23([Br][Cu]412[P](c1n([N]4(C)C)ccc1)(C1CCCC1)C1CCCC1)[P](c1n([N]3(C)C)ccc1)(C1CCCC1)C1CCCC1
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	8.7269 ± 0.0003 Å
b	16.8301 ± 0.0007 Å
c	24.7526 ± 0.001 Å
α	90°
β	93.204 ± 0.001°
γ	90°
Cell volume	3629.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0403
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	7714831.cif
288517	2023-12-23	cif/ Adding structures of 7714829, 7714830, 7714831, 7714832 via cif-deposit CGI script.	7714831.cif