Crystallography Open Database

Information card for entry 4109950

Preview

Coordinates	4109950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H56 O3 Si4 W
Calculated formula	C33 H56 O3 Si4 W
SMILES	[O]#C[W]123456(C#[O])(C(O[SiH2]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)[CH]1=[CH]2c1ccccc1)[c]1([c]3([c]4([c]5([c]61CC)C)C)C)C
Title of publication	Reactions of Hydrido(hydrosilylene)tungsten Complexes with α,β-Unsaturated Carbonyl Compounds: Selective Formation of (η3-Siloxyallyl)tungsten Complexes
Authors of publication	Takahito Watanabe; Hisako Hashimoto; Hiromi Tobita
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11338 - 11339
a	8.2146 ± 0.0004 Å
b	31.6002 ± 0.0011 Å
c	14.2624 ± 0.0003 Å
α	90°
β	89.5622 ± 0.0018°
γ	90°
Cell volume	3702.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0469
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.35
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178845 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99.	4109950.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109950.cif
58729	2012-05-30	cif/ Adding structures of 4109950 via cif-deposit CGI script.	4109950.cif