Crystallography Open Database

Information card for entry 4071658

Preview

Coordinates	4071658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.6 H25 Br F6 N P Ru
Calculated formula	C20.59 H25 Br F6 N P Ru
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	8.2925 ± 0.001 Å
b	15.354 ± 0.002 Å
c	17.775 ± 0.002 Å
α	90°
β	94.66 ± 0.01°
γ	90°
Cell volume	2255.7 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0753
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071658.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071658.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071658.cif
43962	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071658 via cif-deposit CGI script.	4071658.cif