Crystallography Open Database

Information card for entry 4125873

Preview

Coordinates	4125873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H60 Cl4 F12 N8 P2 Ru
Calculated formula	C56 H60 Cl4 F12 N8 P2 Ru
Title of publication	Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.
Authors of publication	Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	12
Pages of publication	4322 - 4325
a	19.8615 ± 0.0009 Å
b	22.9601 ± 0.001 Å
c	13.8009 ± 0.0006 Å
α	90°
β	95.504 ± 0.002°
γ	90°
Cell volume	6264.5 ± 0.5 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
194849 (current)	2017-04-04	cif/ Updating files of 4125873, 4125874 Original log message: Adding full bibliography for 4125873--4125874.cif.	4125873.cif
194359	2017-03-21	cif/ Adding structures of 4125873 via cif-deposit CGI script.	4125873.cif