Crystallography Open Database

Information card for entry 4123089

Preview

Coordinates	4123089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H53 Co N2 Si
Calculated formula	C41 H53 Co N2 Si
SMILES	[Co]1(=C2N(C=CN2C23CC4CC(C2)CC(C3)C4)C23CC4CC(C2)CC(C4)C3)([C](#[C]1c1ccccc1)c1ccccc1)C[Si](C)(C)C
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	10.4302 ± 0.0008 Å
b	21.6815 ± 0.0017 Å
c	15.8328 ± 0.0013 Å
α	90°
β	102.28 ± 0.002°
γ	90°
Cell volume	3498.5 ± 0.5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4123089.cif
128637	2014-12-13	cif/ Adding structures of 4123086, 4123087, 4123088, 4123089 via cif-deposit CGI script.	4123089.cif