Crystallography Open Database

Information card for entry 4064509

Preview

Coordinates	4064509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H86 N2 O W
Calculated formula	C59 H86 N2 O 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	13.0576 ± 0.0002 Å
b	12.8834 ± 0.0002 Å
c	33.4802 ± 0.0006 Å
α	90°
β	100.254 ± 0.001°
γ	90°
Cell volume	5542.29 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
178539 (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 4/06/45.	4064509.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064509.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064509.cif
32932	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064507, 4064508, 4064509 via cif-deposit CGI script.	4064509.cif