Crystallography Open Database

Information card for entry 7063508

Preview

Coordinates	7063508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 Cl2 N4 Ni2 O2 P2
Calculated formula	C48 H34 Cl2 N4 Ni2 O2 P2
Title of publication	Catalytic utility of a bimetallic (pincer) PNN-based nickel complex in the synthesis of quinolines and α-alkylation of ketones
Authors of publication	Pandey, Ankit; Balakrishna, Maravanji S.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	46
Pages of publication	19549 - 19560
a	17.2416 ± 0.0006 Å
b	16.0245 ± 0.0004 Å
c	39.9762 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	11044.9 ± 0.5 Å³
Cell temperature	111.15 K
Ambient diffraction temperature	111.15 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
296642 (current)	2024-12-06	cif/ Updating files of 7063506, 7063507, 7063508 Original log message: Adding full bibliography for 7063506--7063508.cif.	7063508.cif
295706	2024-11-01	cif/ Adding structures of 7063506, 7063507, 7063508 via cif-deposit CGI script.	7063508.cif