Crystallography Open Database

Information card for entry 4132434

Preview

Coordinates	4132434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 Cl2 N2 O P Ru
Calculated formula	C20 H27 Cl2 N2 O P Ru
Title of publication	CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.
Authors of publication	Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7061 - 7064
a	7.9533 ± 0.0005 Å
b	15.2254 ± 0.0009 Å
c	17.5833 ± 0.001 Å
α	90°
β	94.438 ± 0.001°
γ	90°
Cell volume	2122.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0432
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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
242418 (current)	2019-11-26	cif/ Adding structures of 4132430, 4132431, 4132432, 4132433, 4132434 via cif-deposit CGI script.	4132434.cif