Crystallography Open Database

Information card for entry 4084293

Preview

Coordinates	4084293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H70 Cl2 N2 Ni2 P2
Calculated formula	C48 H70 Cl2 N2 Ni2 P2
SMILES	C(C)(C)[P]1(c2ccccc2N([Ni]21[Cl][Ni]1(N(c3c(cccc3)[P]1(C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)[Cl]2)c1c(C(C)C)cccc1C(C)C)C(C)C
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	11.6246 ± 0.001 Å
b	13.8692 ± 0.0012 Å
c	16.3569 ± 0.0018 Å
α	90 ± 0.004°
β	92.935 ± 0.004°
γ	90 ± 0.007°
Cell volume	2633.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2001
Residual factor for significantly intense reflections	0.129
Weighted residual factors for significantly intense reflections	0.3135
Weighted residual factors for all reflections included in the refinement	0.25
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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.	4084293.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4084293.cif
122503	2014-08-26	cif/ Adding structures of 4084293, 4084294, 4084295, 4084296, 4084297, 4084298, 4084299, 4084300 via cif-deposit CGI script.	4084293.cif