Crystallography Open Database

Information card for entry 4132137

Preview

Coordinates	4132137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 Cl2 Co N2 P
Calculated formula	C15 H27 Cl2 Co N2 P
SMILES	[Co]12(Cl)(Cl)[P](C(C)C)(CCC[NH]2Cc2[n]1cccc2)C(C)C
Title of publication	Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.
Authors of publication	Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	22
Pages of publication	6873 - 6882
a	16.6705 ± 0.0005 Å
b	8.1102 ± 0.0002 Å
c	27.7803 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3755.93 ± 0.17 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242179 (current)	2019-11-26	cif/ Adding structures of 4132137 via cif-deposit CGI script.	4132137.cif