Crystallography Open Database

Information card for entry 7710553

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Coordinates	7710553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 B Co D6 F24 N2 P2
Calculated formula	C56 H40 B Co D6 F24 N2 P2
Title of publication	Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts
Authors of publication	Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.7516 ± 0.0007 Å
b	14.4882 ± 0.0007 Å
c	17.3962 ± 0.0009 Å
α	106.052 ± 0.002°
β	102.166 ± 0.002°
γ	111.963 ± 0.001°
Cell volume	2890.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276207 (current)	2022-06-24	cif/ Adding structures of 7710548, 7710549, 7710550, 7710551, 7710552, 7710553, 7710554, 7710555 via cif-deposit CGI script.	7710553.cif