Crystallography Open Database

Information card for entry 4083446

Preview

Coordinates	4083446.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(tBu2MeSi)4Si4Ru(CO)3
Formula	C39 H84 O3 Ru Si8
Calculated formula	C39 H84 O3 Ru Si8
SMILES	[Ru]123([Si]4([Si]2([Si]1([Si](C)(C(C)(C)C)C(C)(C)C)[Si]34[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(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	15.137 ± 0.0007 Å
b	17.545 ± 0.0007 Å
c	19.59 ± 0.0005 Å
α	93.585 ± 0.002°
β	90.93 ± 0.003°
γ	92.055 ± 0.002°
Cell volume	5188.3 ± 0.3 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	4083446.cif
114892	2014-05-29	cif/ Adding structures of 4083446 via cif-deposit CGI script.	4083446.cif