Crystallography Open Database

Information card for entry 1505849

Preview

Coordinates	1505849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5
Calculated formula	C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5
Title of publication	"Achiral" benzophenone ligand for highly enantioselective Ru catalysts in ketone hydrogenation.
Authors of publication	Mikami, Koichi; Wakabayashi, Kazuki; Aikawa, Kohsuke
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	8
Pages of publication	1517 - 1519
a	20.9715 ± 0.0016 Å
b	39.437 ± 0.003 Å
c	13.8177 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	11428 ± 1.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	10
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.2099
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505849.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505849.cif
47788	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505849 via cif-deposit CGI script.	1505849.cif