Crystallography Open Database

Information card for entry 4335487

Preview

Coordinates	4335487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H44 Cl8 Ni O4 P2
Calculated formula	C37 H44 Cl8 Ni O4 P2
Title of publication	Homogeneous Hydrogenation and Isomerization of 1-Octene Catalyzed by Nickel(II) Complexes with Bidentate Diarylphosphane Ligands
Authors of publication	Tiddo J. Mooibroek; Erica C. M. Wenker; Wietse Smit; Ilpo Mutikainen; Martin Lutz; Elisabeth Bouwman
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8190 - 8201
a	10.966 ± 0.002 Å
b	19.026 ± 0.004 Å
c	21.044 ± 0.004 Å
α	90°
β	98.37 ± 0.03°
γ	90°
Cell volume	4343.8 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0582
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335487.cif
101417	2014-02-13	cif/ Adding structures of 4335487 via cif-deposit CGI script.	4335487.cif