Crystallography Open Database

Information card for entry 4112896

Preview

Coordinates	4112896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H51 F6 Ni P3 Si
Calculated formula	C22 H51 F6 Ni P3 Si
SMILES	[Ni]1([P](C(C)(C)C)(CC[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)C[Si](C)(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations
Authors of publication	Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	10554 - 10555
a	11.806 ± 0.003 Å
b	18.744 ± 0.005 Å
c	13.238 ± 0.004 Å
α	90°
β	92.104 ± 0.005°
γ	90°
Cell volume	2927.5 ± 1.4 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	100 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	0.0902
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
178899 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/28.	4112896.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112896.cif
65313	2012-09-05	cif/ Adding structures of 4112896 via cif-deposit CGI script.	4112896.cif