Crystallography Open Database

Information card for entry 4130364

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Coordinates	4130364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H56 Co O2
Calculated formula	C43 H56 Co O2
SMILES	[Co](OC(C(C)(C)C)(C(C)(C)C)c1ccccc1)(OC(C(C)(C)C)(c1ccccc1)C(C)(C)C)=C(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Characterization of a Stable High-Valent Cobalt Carbene Complex.
Authors of publication	Bellow, James A.; Stoian, Sebastian A.; van Tol, Johan; Ozarowski, Andrew; Lord, Richard L.; Groysman, Stanislav
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	17
Pages of publication	5531 - 5534
a	8.5434 ± 0.0004 Å
b	11.3181 ± 0.0005 Å
c	19.657 ± 0.001 Å
α	106.087 ± 0.002°
β	96.817 ± 0.002°
γ	97.583 ± 0.002°
Cell volume	1786.12 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
240824 (current)	2019-11-25	cif/ Adding structures of 4130364 via cif-deposit CGI script.	4130364.cif