Crystallography Open Database

Information card for entry 7060708

Preview

Coordinates	7060708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H28 Cl N3 Ni O2
Calculated formula	C19 H28 Cl N3 Ni O2
Title of publication	Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones
Authors of publication	Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	27
Pages of publication	11927 - 11936
a	9.7315 ± 0.0003 Å
b	9.8437 ± 0.0003 Å
c	21.184 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2029.3 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0193
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0483
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268858 (current)	2021-09-06	cif/ Updating files of 7060706, 7060707, 7060708 Original log message: Adding full bibliography for 7060706--7060708.cif.	7060708.cif
265640	2021-06-01	cif/ Adding structures of 7060706, 7060707, 7060708 via cif-deposit CGI script.	7060708.cif