Crystallography Open Database

Information card for entry 4123150

Preview

Coordinates	4123150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H51 P3 Si3 W
Calculated formula	C27 H51 P3 Si3 W
SMILES	[WH4]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([SiH2][SiH](c1ccccc1)c1ccccc1)[SiH2]c1ccccc1
Title of publication	σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.
Authors of publication	Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141217070549000
a	9.6573 ± 0.0009 Å
b	16.3977 ± 0.0015 Å
c	21.2536 ± 0.0019 Å
α	90°
β	94.398 ± 0.001°
γ	90°
Cell volume	3355.8 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179033 (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 4/12/31.	4123150.cif
128941	2014-12-21	cif/ Adding structures of 4123150 via cif-deposit CGI script.	4123150.cif