Crystallography Open Database

Information card for entry 4111363

Preview

Coordinates	4111363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H60 Co F6 N2 O P3 Si2
Calculated formula	C26 H60 Co F6 N2 O P3 Si2
Title of publication	Redox Chemistry of the Triplet Complex (PNP)CoI
Authors of publication	Michael J. Ingleson; Maren Pink; Hongjun Fan; Kenneth G. Caulton
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	4262 - 4276
a	20.5728 ± 0.0015 Å
b	15.9323 ± 0.0012 Å
c	22.9015 ± 0.0017 Å
α	90°
β	90.072 ± 0.002°
γ	90°
Cell volume	7506.5 ± 1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	8
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	0.0929
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1742
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178884 (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 4/11/13.	4111363.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111363.cif
60889	2012-06-19	cif/ Adding structures of 4111363 via cif-deposit CGI script.	4111363.cif