Crystallography Open Database

Information card for entry 4075187

Preview

Coordinates	4075187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 O2 Si W
Calculated formula	C18 H24 O2 Si W
SMILES	[WH2]1234([SiH2]c5ccccc5)(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
Title of publication	Synthesis, Structure, and Dynamic Behavior of Tungsten Dihydride Silyl Complexes Cp*(CO)2W(H)2(SiHPhR) (R = Ph, H, Cl)
Authors of publication	Sakaba, Hiroyuki; Hirata, Takeshi; Kabuto, Chizuko; Kabuto, Kuninobu
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	21
Pages of publication	5145
a	8.5362 ± 0.0018 Å
b	15.006 ± 0.003 Å
c	14.409 ± 0.003 Å
α	90°
β	91.597 ± 0.004°
γ	90°
Cell volume	1845 ± 0.7 Å³
Cell temperature	173.1 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 significantly intense reflections	0.0244
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075187.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075187.cif
49109	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075186, 4075187 via cif-deposit CGI script.	4075187.cif