Crystallography Open Database

Information card for entry 4111360

Preview

Coordinates	4111360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H52 Co I N O P2 Si2
Calculated formula	C22 H52 Co I N O P2 Si2
SMILES	I[Co]12[P](C[Si](N2[Si](C)(C)CP(=[O]1)(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C
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	11.6465 ± 0.0005 Å
b	15.8356 ± 0.0006 Å
c	17.1436 ± 0.0007 Å
α	90°
β	97.426 ± 0.001°
γ	90°
Cell volume	3135.3 ± 0.2 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	0.0686
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
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.	4111360.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111360.cif
60886	2012-06-19	cif/ Adding structures of 4111360 via cif-deposit CGI script.	4111360.cif