Crystallography Open Database

Information card for entry 4064508

Preview

Coordinates	4064508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H55 N2 O1.5 W
Calculated formula	C56 H55 N2 O1.5 W
Title of publication	Room Temperature Z-Selective Homocoupling of α Olefins by Tungsten Catalysts.
Authors of publication	Marinescu, Smaranda C.; Schrock, Richard R.; Müller, Peter; Takase, Michael K.; Hoveyda, Amir H.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	7
Pages of publication	1780 - 1782
a	44.1194 ± 0.0007 Å
b	9.5497 ± 0.0002 Å
c	23.8428 ± 0.0004 Å
α	90°
β	115.104 ± 0.001°
γ	90°
Cell volume	9096.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0233
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4064508.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064508.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064508.cif
32932	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064507, 4064508, 4064509 via cif-deposit CGI script.	4064508.cif