Crystallography Open Database

Information card for entry 4064859

Preview

Coordinates	4064859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H49 B F24 N4 O1.25 P Ru
Calculated formula	C74 H49 B F24 N4 O1.25 P Ru
Title of publication	New CNN-Type Ruthenium Pincer NHC Complexes. Mild, Efficient Catalytic Hydrogenation of Esters
Authors of publication	Fogler, Eran; Balaraman, Ekambaram; Ben-David, Yehoshua; Leitus, Gregory; Shimon, Linda, J. W.; Milstein, David
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	14
Pages of publication	3826
a	11.5507 ± 0.0003 Å
b	17.3308 ± 0.0005 Å
c	19.5847 ± 0.0005 Å
α	113.316 ± 0.001°
β	93.094 ± 0.001°
γ	101.152 ± 0.001°
Cell volume	3495.11 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178542 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/48.	4064859.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064859.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064859.cif
33065	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064856, 4064857, 4064858, 4064859 via cif-deposit CGI script.	4064859.cif