Crystallography Open Database

Information card for entry 4123086

Preview

Coordinates	4123086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H47 Cl Co N2 P
Calculated formula	C41 H47 Cl Co N2 P
SMILES	[Co](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C=CN1C12CC3CC(C1)CC(C3)C2)C12CC3CC(C2)CC(C3)C1
Title of publication	Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.
Authors of publication	Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141209075314002
a	10.8518 ± 0.001 Å
b	14.8683 ± 0.0014 Å
c	21.679 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3497.9 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179032 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/30.	4123086.cif
128637	2014-12-13	cif/ Adding structures of 4123086, 4123087, 4123088, 4123089 via cif-deposit CGI script.	4123086.cif