Crystallography Open Database

Information card for entry 4125728

Preview

Coordinates	4125728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H57 Cl5 Mn2 O4 P4 Rh2
Calculated formula	C79.5 H77 Cl5 Mn2 O4 P4 Rh2
Title of publication	Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.
Authors of publication	Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	4
Pages of publication	1545 - 1553
a	15.724 ± 0.003 Å
b	15.989 ± 0.003 Å
c	17.291 ± 0.004 Å
α	88.888 ± 0.011°
β	75.797 ± 0.008°
γ	65.447 ± 0.007°
Cell volume	3816.4 ± 1.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193107 (current)	2017-03-04	cif/ Adding structures of 4125728 via cif-deposit CGI script.	4125728.cif