Crystallography Open Database

Information card for entry 4125715

Preview

Coordinates	4125715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 Co N2
Calculated formula	C33 H43 Co N2
SMILES	[CoH]12345(=C6N(C=CN6c6c(cccc6C(C)C)C(C)C)c6c(cccc6C(C)C)C(C)C)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
Title of publication	Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.
Authors of publication	Liu, Yang; Deng, Liang
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	5
Pages of publication	1798 - 1801
a	10.2475 ± 0.0019 Å
b	20.416 ± 0.004 Å
c	14.107 ± 0.003 Å
α	90°
β	99.064 ± 0.004°
γ	90°
Cell volume	2914.5 ± 1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
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	0.0966
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
193094 (current)	2017-03-04	cif/ Adding structures of 4125713, 4125714, 4125715 via cif-deposit CGI script.	4125715.cif