Crystallography Open Database

Information card for entry 4112898

Preview

Coordinates	4112898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H65 B F24 Ni P2
Calculated formula	C60 H65 B F24 Ni P2
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	35.135 ± 0.003 Å
b	12.723 ± 0.0011 Å
c	13.4387 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6007.4 ± 0.9 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	4112898.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112898.cif
65315	2012-09-05	cif/ Adding structures of 4112898 via cif-deposit CGI script.	4112898.cif