Crystallography Open Database

Information card for entry 4314902

Preview

Coordinates	4314902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H74 B F24 N2 P3 Ru
Calculated formula	C81 H74 B F24 N2 P3 Ru
Title of publication	Interplay between Hydrido/Dihydrogen and Amine/Amido Ligands in Ruthenium-Catalyzed Transfer Hydrogenation of Ketones
Authors of publication	Alexandre Picot; Hellen Dyer; Antoine Buchard; Audrey Auffrant; Laure Vendier; Pascal Le Floch; Sylviane Sabo-Etienne
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1310 - 1312
a	14.143 ± 0.0005 Å
b	33.263 ± 0.0008 Å
c	20.187 ± 0.0007 Å
α	90°
β	104.371 ± 0.003°
γ	90°
Cell volume	9199.6 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
179229 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49.	4314902.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314902.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314902.cif
8045	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314902 via cif-deposit CGI script.	4314902.cif