Crystallography Open Database

Information card for entry 4068830

Preview

Coordinates	4068830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H65 F36 N6 O4 W2
Calculated formula	C51 H65 F36 N6 O4 W2
Title of publication	Experimental and Theoretical Investigations of Catalytic Alkyne Cross-Metathesis with Imidazolin-2-iminato Tungsten Alkylidyne Complexes
Authors of publication	Beer, Stephan; Brandhorst, Kai; Hrib, Cristian G.; Wu, Xian; Haberlag, Birte; Grunenberg, Jörg; Jones, Peter G.; Tamm, Matthias
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1534
a	10.0957 ± 0.0012 Å
b	16.683 ± 0.002 Å
c	21.052 ± 0.003 Å
α	88.164 ± 0.004°
β	83.019 ± 0.004°
γ	76.006 ± 0.004°
Cell volume	3415 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178578 (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 4/06/88.	4068830.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068830.cif
40000	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068830 via cif-deposit CGI script.	4068830.cif