Crystallography Open Database

Information card for entry 4125758

Preview

Coordinates	4125758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.25 H52 N2 O P2 Ru
Calculated formula	C52.25 H52 N2 O P2 Ru
Title of publication	Electrocatalytic Alcohol Oxidation with Ruthenium Transfer Hydrogenation Catalysts.
Authors of publication	Waldie, Kate M.; Flajslik, Kristen R.; McLoughlin, Elizabeth; Chidsey, Christopher E. D.; Waymouth, Robert M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	2
Pages of publication	738 - 748
a	10.9808 ± 0.0006 Å
b	14.8133 ± 0.0008 Å
c	28.4694 ± 0.0015 Å
α	90°
β	97.311 ± 0.001°
γ	90°
Cell volume	4593.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0816
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4125758.html