Crystallography Open Database

Information card for entry 4065104

Preview

Coordinates	4065104.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MegaFluorus
Formula	C21 H8 F18 N2
Calculated formula	C21 H8 F18 N2
Title of publication	Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions
Authors of publication	Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	20
Pages of publication	5381
a	18.1409 ± 0.001 Å
b	7.9853 ± 0.0004 Å
c	15.7083 ± 0.0008 Å
α	90°
β	92.344 ± 0.005°
γ	90°
Cell volume	2273.6 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
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	0.0479
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178544 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/51.	4065104.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065104.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065104.cif
33157	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065104, 4065105, 4065106, 4065107, 4065108, 4065109, 4065110, 4065111 via cif-deposit CGI script.	4065104.cif