Crystallography Open Database

Information card for entry 7704100

Preview

Coordinates	7704100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl2 N4 Ni
Calculated formula	C20 H20 Cl2 N4 Ni
SMILES	[Ni]12(Cl)(Cl)[n]3c(N=[N]2c2ccccc2)cccc3C[NH]1c1c(cccc1C)C
Title of publication	Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.
Authors of publication	Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6816 - 6831
a	9.0074 ± 0.0005 Å
b	9.9859 ± 0.0006 Å
c	11.7946 ± 0.0006 Å
α	87.05 ± 0.004°
β	75.671 ± 0.004°
γ	71.025 ± 0.005°
Cell volume	971.54 ± 0.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252792 (current)	2020-06-05	cif/ Updating files of 7704099, 7704100, 7704101, 7704102, 7704103, 7704104, 7704105, 7704106, 7704107, 7704108, 7704109, 7704110 Original log message: Adding full bibliography for 7704099--7704110.cif.	7704100.cif
250875	2020-04-17	cif/ Adding structures of 7704099, 7704100, 7704101, 7704102, 7704103, 7704104, 7704105, 7704106, 7704107, 7704108, 7704109, 7704110 via cif-deposit CGI script.	7704100.cif