Crystallography Open Database

Information card for entry 4120680

4120679 << 4120680 >> 4120681

Preview

Coordinates	4120680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H58 Ge O4 Si3 W
Calculated formula	C32 H58 Ge O4 Si3 W
SMILES	[W]123456(C#[O])(C#[O])([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)C[CH]5=[C]6(CC)O[Ge]1(CC=C(CC)O1)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Reactions of a Tungsten-Germylyne Complex with α,β-Unsaturated Ketones: Complete Cleavage of the W≡Ge Bond and Formation of Two Types of η(3)-Germoxyallyl Tungsten Complexes.
Authors of publication	Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	1
Pages of publication	80 - 83
a	16.9057 ± 0.0006 Å
b	10.5686 ± 0.0004 Å
c	21.5417 ± 0.001 Å
α	90°
β	101.02 ± 0.0017°
γ	90°
Cell volume	3777.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.264
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120680.cif
106663	2014-03-15	cif/ Adding structures of 4120680, 4120681 via cif-deposit CGI script.	4120680.cif