Crystallography Open Database

Information card for entry 4107273

Preview

Coordinates	4107273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H72 N O2 P W
Calculated formula	C50.5 H72 N O2 P W
Title of publication	Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes
Authors of publication	Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20754 - 20757
a	13.4162 ± 0.0007 Å
b	13.5775 ± 0.0007 Å
c	14.7782 ± 0.0008 Å
α	71.833 ± 0.001°
β	65.515 ± 0.001°
γ	83.655 ± 0.001°
Cell volume	2327.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.038
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
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.	4107273.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107273.cif
54925	2012-04-30	cif/ Adding structures of 4107273 via cif-deposit CGI script.	4107273.cif