Crystallography Open Database

Information card for entry 4120681

4120680 << 4120681 >> 4120682

Preview

Coordinates	4120681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H50 Ge O3 Si3 W
Calculated formula	C27 H50 Ge O3 Si3 W
SMILES	[W]123456(C#[O])(C#[O])([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)C1(O[GeH]([CH]6=[C]51C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(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	8.9578 ± 0.0007 Å
b	9.0925 ± 0.0007 Å
c	21.22 ± 0.0017 Å
α	81.533 ± 0.006°
β	78.365 ± 0.006°
γ	76.447 ± 0.005°
Cell volume	1636.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71075 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.	4120681.cif
106663	2014-03-15	cif/ Adding structures of 4120680, 4120681 via cif-deposit CGI script.	4120681.cif