Information card for entry 7034110

Structure parameters

• Formula: C29 H34 B3 O8 Re2 Ru2 S2
• Calculated formula: C29 H34 B3 O8 Re2 Ru2 S2
• SMILES: [Re]1([S]2[Re]3(C#[O])(C#[O])(C#[O])(C#[O])[B]452[Ru]26789%10%11([Ru]%12%13%14%15([S]42C1)([BH]7[BH]356)[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)(C#[O])(C#[O])(C#[O])C#[O]
• 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: 10.6073 ± 0.0002 Å
• b: 16.4222 ± 0.0004 Å
• c: 21.8033 ± 0.0004 Å
• α: 90°
• β: 103.173 ± 0.001°
• γ: 90°
• Cell volume: 3698.09 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No