Information card for entry 7034111

Structure parameters

• Chemical name: compound 3
• Formula: C30 H34 O9 Re2 Ru2 S2
• Calculated formula: C30 H34 O9 Re2 Ru2 S2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]162345C(=O)[Re]2(C#[O])(C#[O])(C#[O])[S]1C[S]6[Ru]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)(C#[O])[H][Re](C#[O])(C#[O])(C#[O])(C#[O])[H]2)C)C)C)C
• Title of publication: In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters.
• Authors of publication: Anju, R. S.; Saha, Koushik; Mondal, Bijan; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11306 - 11313
• a: 12.4115 ± 0.0003 Å
• b: 15.6418 ± 0.0004 Å
• c: 18.9999 ± 0.0004 Å
• α: 90°
• β: 99.573 ± 0.002°
• γ: 90°
• Cell volume: 3637.24 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No