Crystallography Open Database

Information card for entry 4106595

Preview

Coordinates	4106595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H67 B F24 N Ni P2
Calculated formula	C60 H67 B F24 N Ni P2
Title of publication	Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes
Authors of publication	Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	13055 - 13063
a	17.736 ± 0.005 Å
b	16.476 ± 0.004 Å
c	23.481 ± 0.006 Å
α	90°
β	112.082 ± 0.004°
γ	90°
Cell volume	6358 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0837
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106595.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106595.cif
53397	2012-04-19	cif/ Adding structures of 4106595 via cif-deposit CGI script.	4106595.cif