Crystallography Open Database

Information card for entry 4121469

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Coordinates	4121469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H57 O4 P2 Ru
Calculated formula	C33 H57 O4 P2 Ru
Title of publication	Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.
Authors of publication	Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	11
Pages of publication	4419 - 4425
a	13.2848 ± 0.0002 Å
b	13.6995 ± 0.0005 Å
c	18.5567 ± 0.0003 Å
α	90°
β	101.855 ± 0.002°
γ	90°
Cell volume	3305.19 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.2438
Weighted residual factors for all reflections included in the refinement	0.2564
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
179016 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/14.	4121469.cif
107801	2014-03-22	cif/ Adding structures of 4121468, 4121469, 4121470 via cif-deposit CGI script.	4121469.cif