Information card for entry 4068317

Structure parameters

• Formula: C60.5 H58.5 Cl N2 O2.25 P2 Ru S2
• Calculated formula: C60.5 H58.5 Cl N2 O2.25 P2 Ru S2
• SMILES: [Ru]1([S]=C(S1)N1CC[NH2+]CC1)(C#[O])(/C(=C/c1ccccc1)C#Cc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].OCC.OCC
• Title of publication: Multimetallic Arrays: Symmetrical and Unsymmetrical Bi-, Tri-, and Tetrametallic Organometallic Complexes of Ruthenium(II) and Osmium(II)
• Authors of publication: Macgregor, Mairi J.; Hogarth, Graeme; Thompson, Amber L.; Wilton-Ely, James D. E. T.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 197
• a: 21.2542 ± 0.0006 Å
• b: 16.2199 ± 0.0005 Å
• c: 18.9949 ± 0.0006 Å
• α: 90°
• β: 105.006 ± 0.002°
• γ: 90°
• Cell volume: 6325 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1196
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No