Crystallography Open Database

Information card for entry 4077674

Preview

Coordinates	4077674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 F6 O9 P2 Ru S2
Calculated formula	C40 H34 F6 O9 P2 Ru S2
Title of publication	P−C Bond Splitting Reactions in Ruthenium(II) Complexes of Binap and MeO−Biphep Using CF3SO3H and HBF4. A Novel Ru−F−H Interaction
Authors of publication	den Reijer, Carolien J.; Wörle, Michael; Pregosin, Paul S.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	3
Pages of publication	309
a	21.02 ± 0.003 Å
b	10.294 ± 0.002 Å
c	21.626 ± 0.003 Å
α	90°
β	117.16 ± 0.03°
γ	90°
Cell volume	4163.5 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1071
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178665 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/76.	4077674.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077674.cif
54662	2012-04-28	cif/ Adding structures of 4077673, 4077674 via cif-deposit CGI script.	4077674.cif