Crystallography Open Database

Information card for entry 1544220

Preview

Coordinates	1544220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Cl8 N2 Ru
Calculated formula	C36 H39 Cl8 N2 Ru
Title of publication	Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation
Authors of publication	Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	22
Pages of publication	8024
a	11.3681 ± 0.0004 Å
b	14.3155 ± 0.0007 Å
c	14.8357 ± 0.0007 Å
α	62.367 ± 0.005°
β	84.064 ± 0.004°
γ	77.725 ± 0.004°
Cell volume	2090.04 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1725
Weighted residual factors for all reflections included in the refinement	0.1917
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
190057 (current)	2017-01-09	cif/ Updating files of 1544219, 1544220 Original log message: Adding full bibliography for 1544219--1544220.cif.	1544220.cif
186809	2016-09-28	cif/ Adding structures of 1544219, 1544220 via cif-deposit CGI script.	1544220.cif