Crystallography Open Database

Information card for entry 4509842

Preview

Coordinates	4509842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 Cl6 O6 P2 Ru
Calculated formula	C42 H34 Cl6 O6 P2 Ru
Title of publication	Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions
Authors of publication	Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.
Journal of publication	ACS Catalysis
Year of publication	2014
Journal volume	4
Journal issue	1
Pages of publication	311
a	9.915 ± 0.002 Å
b	11.919 ± 0.002 Å
c	20.194 ± 0.004 Å
α	97.563 ± 0.003°
β	91.49 ± 0.003°
γ	112.378 ± 0.003°
Cell volume	2180 ± 0.7 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179634 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98.	4509842.cif
104068	2014-03-10	cif/ Adding structures of 4509842, 4509843, 4509844, 4509845, 4509846 via cif-deposit CGI script.	4509842.cif