Crystallography Open Database

Information card for entry 7710552

Preview

Coordinates	7710552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H78 Cl2 Co2 P6
Calculated formula	C81 H78 Cl2 Co2 P6
SMILES	C1CC[P](c2ccccc2)(c2ccccc2)[Co]([P]1(c1ccccc1)c1ccccc1)([P](CCC[P](c1ccccc1)(c1ccccc1)[Co]1([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1)Cl
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	21.4598 ± 0.0009 Å
b	21.5413 ± 0.0009 Å
c	23.7245 ± 0.001 Å
α	66.439 ± 0.001°
β	66.401 ± 0.001°
γ	71.722 ± 0.001°
Cell volume	9056.8 ± 0.7 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
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
276207 (current)	2022-06-24	cif/ Adding structures of 7710548, 7710549, 7710550, 7710551, 7710552, 7710553, 7710554, 7710555 via cif-deposit CGI script.	7710552.cif