Crystallography Open Database

Information card for entry 4514644

Preview

Coordinates	4514644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 Co Li N2 O
Calculated formula	C48 H60 Co Li N2 O
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	17.4715 ± 0.0002 Å
b	10.5472 ± 0.0001 Å
c	10.9763 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2022.66 ± 0.04 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	6
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4514644.cif