Crystallography Open Database

Information card for entry 4118887

Preview

Coordinates	4118887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H62 O P2 Ru
Calculated formula	C55 H62 O P2 Ru
Title of publication	Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst
Authors of publication	Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	18746 - 18757
a	41.6 ± 0.02 Å
b	17.746 ± 0.009 Å
c	12.812 ± 0.006 Å
α	90°
β	102.235 ± 0.007°
γ	90°
Cell volume	9243 ± 8 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.287
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178959 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/88.	4118887.cif
76453	2013-03-19	cif/ Adding structures of 4118887 via cif-deposit CGI script.	4118887.cif