Crystallography Open Database

Information card for entry 4121468

Preview

Coordinates	4121468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 O3 P2 Ru
Calculated formula	C32 H56 O3 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	10.18 ± 0.0006 Å
b	11.332 ± 0.0006 Å
c	14.443 ± 0.0008 Å
α	92.58 ± 0.004°
β	99.537 ± 0.005°
γ	106.924 ± 0.005°
Cell volume	1564.26 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0528
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4121468.cif
107801	2014-03-22	cif/ Adding structures of 4121468, 4121469, 4121470 via cif-deposit CGI script.	4121468.cif