Crystallography Open Database

Information card for entry 4112814

Preview

Coordinates	4112814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H56 F10 N2 O2 W2
Calculated formula	C46 H56 F10 N2 O2 W2
Title of publication	Formation of Dimers That Contain Unbridged W(IV)/W(IV) Double Bonds
Authors of publication	Lourdes Pia H. Lopez; Richard R. Schrock
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9526 - 9527
a	10.5289 ± 0.0006 Å
b	9.9479 ± 0.0006 Å
c	22.5331 ± 0.0014 Å
α	90°
β	94.838 ± 0.001°
γ	90°
Cell volume	2351.7 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178899 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/28.	4112814.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112814.cif
65230	2012-09-05	cif/ Adding structures of 4112814 via cif-deposit CGI script.	4112814.cif