Crystallography Open Database

Information card for entry 7063510

Preview

Coordinates	7063510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 Cl3 Ni O4 P2
Calculated formula	C32 H41 Cl3 Ni O4 P2
Title of publication	Naphthyl and biphenyl para-substituted POCOP-Ni(ii) pincer complexes as efficient catalysts in C–S cross-coupling reactions
Authors of publication	López-Robledo, Luis E.; Ortiz-Fuentes, Evelin E.; Rufino-Felipe, Ernesto; Serrano-García, Juan S.; Arenaza-Corona, Antonino; Hernandez-Ortega, Simón; Valdés, Hugo; Gonzalez-Sebastian, Lucero; Reyes-Márquez, Viviana; Morales-Morales, David
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	9
Pages of publication	3426 - 3435
a	27.1448 ± 0.0013 Å
b	9.4225 ± 0.0004 Å
c	27.3977 ± 0.0012 Å
α	90°
β	92.154 ± 0.002°
γ	90°
Cell volume	7002.6 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
299036 (current)	2025-04-05	cif/ Updating files of 7063510, 7063511, 7063512 Original log message: Adding full bibliography for 7063510--7063512.cif.	7063510.cif
295708	2024-11-01	cif/ Adding structures of 7063510, 7063511, 7063512 via cif-deposit CGI script.	7063510.cif