Crystallography Open Database

Information card for entry 1514376

Preview

Coordinates	1514376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 F18 N O2 W
Calculated formula	C25 H27 F18 N O2 W
SMILES	[W](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(=CC(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Title of publication	Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts
Authors of publication	Mougel, V.; Copéret, C.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	6
Pages of publication	2475
a	15.3435 ± 0.0004 Å
b	17.6683 ± 0.0005 Å
c	21.002 ± 0.0005 Å
α	65.712 ± 0.003°
β	71.109 ± 0.003°
γ	68.54 ± 0.003°
Cell volume	4728 ± 0.3 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 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	0.0972
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514376.cif
116152	2014-06-07	cif/ Updating files of 1514376 Original log message: Adding full bibliography for 1514376.cif.	1514376.cif
110074	2014-04-18	cif/ Adding structures of 1514376 via cif-deposit CGI script.	1514376.cif