Crystallography Open Database

Information card for entry 7710550

Preview

Coordinates	7710550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H126 Cl2 Co2 O4.5 P6
Calculated formula	C105 H126 Cl2 Co2 O4.5 P6
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	11.3756 ± 0.0017 Å
b	39.096 ± 0.006 Å
c	11.5017 ± 0.0018 Å
α	90°
β	96.094 ± 0.004°
γ	90°
Cell volume	5086.4 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1856
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	7710550.cif