Crystallography Open Database

Information card for entry 4514649

Preview

Coordinates	4514649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H123 Co2 Li N4 O5
Calculated formula	C92 H123 Co2 Li N4 O5
Title of publication	Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates
Authors of publication	Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel
Journal of publication	ACS Catalysis
Year of publication	2019
Journal volume	9
Journal issue	8
Pages of publication	7596
a	21.4917 ± 0.0016 Å
b	13.0279 ± 0.001 Å
c	29.987 ± 0.002 Å
α	90°
β	101.086 ± 0.001°
γ	90°
Cell volume	8239.4 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
219827 (current)	2019-10-28	cif/ Adding structures of 4514644, 4514645, 4514646, 4514647, 4514648, 4514649 via cif-deposit CGI script.	4514649.cif