Crystallography Open Database

Information card for entry 4071657

Preview

Coordinates	4071657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 F6 O2 P Ru
Calculated formula	C17 H25 F6 O2 P Ru
SMILES	[Ru]1234567([O]=C(O1)C)(C[CH]2=[CH]3C=C)[c]1([c]4(C)[c]5([c]6(C)[c]71C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Facile Ruthenium(IV)-Catalyzed Single and Double Allylation of Indole Compounds using Alcohols as Substrates: Aspects of Ruthenium(IV) Allyl Chemistry
Authors of publication	Gruber, Stefan; Zaitsev, Alexey B.; Wörle, Michael; Pregosin, Paul S.; Veiros, Luis F.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3796
a	9.0768 ± 0.0007 Å
b	8.3752 ± 0.0006 Å
c	13.2634 ± 0.0009 Å
α	90°
β	95.86 ± 0.001°
γ	90°
Cell volume	1003.01 ± 0.13 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178605 (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 4/07/16.	4071657.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071657.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071657.cif
43961	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071657 via cif-deposit CGI script.	4071657.cif