Crystallography Open Database

Information card for entry 4083447

Preview

Coordinates	4083447.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Me3Si4]C4Ru(CO)3
Formula	C19 H36 O3 Ru Si4
Calculated formula	C19 H36 O3 Ru Si4
SMILES	[Ru]123([C]4(=[C]3([Si](C)(C)C)[C]1([Si](C)(C)C)=[C]24[Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])C#[O]
Title of publication	Tetrasilacyclobutadiene and Cyclobutadiene Tricarbonylruthenium Complexes: [η4-(tBu2MeSi)4Si4]Ru(CO)3and [η4-(Me3Si)4C4]Ru(CO)3
Authors of publication	Takanashi, Kazunori; Lee, Vladimir Ya.; Sekiguchi, Akira
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	4
Pages of publication	1248
a	9.553 ± 0.0003 Å
b	16.194 ± 0.0006 Å
c	19.256 ± 0.0005 Å
α	90°
β	116.648 ± 0.002°
γ	90°
Cell volume	2662.5 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	120 ± 1 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	0.0655
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1711
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
178723 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34.	4083447.cif
114893	2014-05-29	cif/ Adding structures of 4083447 via cif-deposit CGI script.	4083447.cif