Crystallography Open Database

Information card for entry 4125531

Preview

Coordinates	4125531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H86 Cl4 Cr2 O4 P4 Rh2
Calculated formula	C84 H83 Cl4 Cr2 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	19.777 ± 0.008 Å
b	16.145 ± 0.006 Å
c	25.463 ± 0.01 Å
α	90°
β	104.312 ± 0.005°
γ	90°
Cell volume	7878 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1333
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2087
Weighted residual factors for all reflections included in the refinement	0.2378
Goodness-of-fit parameter for all reflections included in the refinement	1.214
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193502 (current)	2017-03-04	cif/ Updating files of 4125531, 4125532 Original log message: Adding full bibliography for 4125531--4125532.cif.	4125531.cif
192585	2017-03-01	cif/ Adding structures of 4125531 via cif-deposit CGI script.	4125531.cif