Crystallography Open Database

Information card for entry 7704103

Preview

Coordinates	7704103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Cl6.64 I1.36 N8 Ni2
Calculated formula	C38 H32 Cl6.6436 I1.3564 N8 Ni2
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	10.4316 ± 0.0003 Å
b	15.7887 ± 0.0004 Å
c	13.0106 ± 0.0003 Å
α	90°
β	100.576 ± 0.002°
γ	90°
Cell volume	2106.46 ± 0.1 Å³
Cell temperature	100.03 ± 0.11 K
Ambient diffraction temperature	100.03 ± 0.11 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	0.0289
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7704103.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.	7704103.cif