Crystallography Open Database

Information card for entry 4125874

Preview

Coordinates	4125874.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	z1056
Formula	C60 H58 F12 N6 P4 Ru
Calculated formula	C60 H58 F12 N6 P4 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	14.276 ± 0.0006 Å
b	15.7178 ± 0.0007 Å
c	14.3256 ± 0.0006 Å
α	90°
β	103.244 ± 0.002°
γ	90°
Cell volume	3129 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4125874.cif
194360	2017-03-21	cif/ Adding structures of 4125874 via cif-deposit CGI script.	4125874.cif