Crystallography Open Database

Information card for entry 4336333

Preview

Coordinates	4336333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H44 Cl Co N P2 Si
Calculated formula	C22 H44 Cl Co N P2 Si
SMILES	[Co]12(Cl)([P](C(C)C)(CC[NH]2CC[P]1(C(C)C)C(C)C)C(C)C)[SiH2]c1ccccc1
Title of publication	Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand
Authors of publication	Sergio S. Rozenel; Rosa Padilla; John Arnold
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11544 - 11550
a	10.729 ± 0.003 Å
b	20.878 ± 0.003 Å
c	12.305 ± 0.002 Å
α	90°
β	100.01 ± 0.02°
γ	90°
Cell volume	2714.4 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1889
Residual factor for significantly intense reflections	0.1012
Weighted residual factors for significantly intense reflections	0.2381
Weighted residual factors for all reflections included in the refinement	0.2818
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179466 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336333.cif
102311	2014-02-19	cif/ Adding structures of 4336333 via cif-deposit CGI script.	4336333.cif