Crystallography Open Database

Information card for entry 4066883

Preview

Coordinates	4066883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H61 N2 Ru S Si2
Calculated formula	C35 H54 N2 Ru S Si2
SMILES	c1(c(cccc1[Si](C)(C)C)[Si](C)(C)C)S[Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.CCCCCC
Title of publication	Preparation and Reactivity of a Ruthenium Complex Bearing a 2,6-Bis(trimethylsilyl)benzenethiolate Ligand
Authors of publication	Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	18
Pages of publication	4148
a	20.2705 ± 0.0008 Å
b	18.1441 ± 0.0007 Å
c	22.6104 ± 0.001 Å
α	90°
β	104.327 ± 0.001°
γ	90°
Cell volume	8057.2 ± 0.6 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	6
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	0.1067
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178560 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/68.	4066883.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066883.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066883.cif
34012	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066882, 4066883, 4066884, 4066885 via cif-deposit CGI script.	4066883.cif