Crystallography Open Database

Information card for entry 4078109

Preview

Coordinates	4078109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H54 Cl N2 P Ru2 S
Calculated formula	C32 H54 Cl N2 P Ru2 S
SMILES	[Ru]123456([Ru]789%10(S1)([P]2(C)C)([c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)C#[N]C(C)(C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)C#[N]C(C)(C)C.[Cl-]
Title of publication	Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands
Authors of publication	Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3292
a	20.4886 ± 0.0012 Å
b	8.3947 ± 0.0006 Å
c	22.4029 ± 0.0013 Å
α	90°
β	113.415 ± 0.0014°
γ	90°
Cell volume	3535.9 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.0682
Weighted residual factors for all reflections included in the refinement	0.2134
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178670 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/81.	4078109.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078109.cif
57710	2012-05-18	cif/ Adding structures of 4078107, 4078108, 4078109, 4078110, 4078111, 4078112 via cif-deposit CGI script.	4078109.cif