Crystallography Open Database

Information card for entry 4121470

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Coordinates	4121470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H69 B O3 P2 Ru
Calculated formula	C37 H69 B 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	12.885 ± 0.005 Å
b	24.182 ± 0.005 Å
c	27.632 ± 0.005 Å
α	64.995 ± 0.005°
β	81.383 ± 0.005°
γ	75.589 ± 0.005°
Cell volume	7547 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 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	0.0426
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	4121470.cif
107801	2014-03-22	cif/ Adding structures of 4121468, 4121469, 4121470 via cif-deposit CGI script.	4121470.cif