Crystallography Open Database

Information card for entry 7701516

Preview

Coordinates	7701516.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co(Aracac)2(THF)2-cis
Formula	C70 H86 Co O6
Calculated formula	C70 H86 Co O6
Title of publication	Sterically encumbered β-diketonates and base metal catalysis.
Authors of publication	Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	28
Pages of publication	10714 - 10722
a	35.001 ± 0.009 Å
b	35.001 Å
c	10.84 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	13280 ± 5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200.15 K
Number of distinct elements	4
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223294 (current)	2019-11-05	cif/ Adding structures of 7701515, 7701516, 7701517, 7701518, 7701519, 7701520, 7701521 via cif-deposit CGI script.	7701516.cif