Crystallography Open Database

Information card for entry 4066711

Preview

Coordinates	4066711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 O2 Si2 W
Calculated formula	C29 H34 O2 Si2 W
SMILES	[W]12345([Si]6(C1=C6[Si](C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Conversion of an Acetylide−Silylene Complex to an Alkenylcarbyne Complex by Consecutive Ketone Addition and Base-Induced Silanone Elimination
Authors of publication	Sakaba, Hiroyuki; Yabe-Yoshida, Mako; Oike, Hiroyuki; Kabuto, Chizuko
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	18
Pages of publication	4115
a	25.249 ± 0.006 Å
b	15.334 ± 0.003 Å
c	17.601 ± 0.004 Å
α	90°
β	123.546 ± 0.001°
γ	90°
Cell volume	5680 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178559 (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 4/06/67.	4066711.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066711.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066711.cif
33967	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066711, 4066712 via cif-deposit CGI script.	4066711.cif