Crystallography Open Database

Information card for entry 4084294

Preview

Coordinates	4084294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H55 N2 Ni P2
Calculated formula	C65 H55 N2 Ni P2
Title of publication	Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination
Authors of publication	Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	20
Pages of publication	5852
a	18.726 ± 0.0003 Å
b	21.582 ± 0.0003 Å
c	49.735 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	20100.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
178731 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/42.	4084294.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4084294.cif
122503	2014-08-26	cif/ Adding structures of 4084293, 4084294, 4084295, 4084296, 4084297, 4084298, 4084299, 4084300 via cif-deposit CGI script.	4084294.cif