Crystallography Open Database

Information card for entry 4088803

Preview

Coordinates	4088803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Cl2 Co N2 P
Calculated formula	C25 H21 Cl2 Co N2 P
Title of publication	Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis
Authors of publication	Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	2900
a	8.5905 ± 0.0016 Å
b	18.32 ± 0.004 Å
c	15.217 ± 0.003 Å
α	90°
β	95.112 ± 0.006°
γ	90°
Cell volume	2385.3 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.0514
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
237838 (current)	2019-11-24	cif/ Adding structures of 4088803, 4088804, 4088805, 4088806, 4088807, 4088808, 4088809, 4088810, 4088811 via cif-deposit CGI script.	4088803.cif