Crystallography Open Database

Information card for entry 4132138

Preview

Coordinates	4132138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H50 Cl4 Co2 N4 P2
Calculated formula	C28 H50 Cl4 Co2 N4 P2
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	13.9796 ± 0.0007 Å
b	14.563 ± 0.0007 Å
c	17.6977 ± 0.0007 Å
α	90°
β	91.037 ± 0.004°
γ	90°
Cell volume	3602.4 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1988
Weighted residual factors for all reflections included in the refinement	0.2123
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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

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