Information card for entry 7034114

Structure parameters

• Formula: C17 H16 Fe2 O7 Ru S
• Calculated formula: C17 H16 Fe2 O7 Ru S
• SMILES: [Fe]123([Fe]45([S]1[Ru]167825(C4=O)([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)[H]3)(C#[O])(C#[O])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: 19.161 ± 0.0006 Å
• b: 8.481 ± 0.0002 Å
• c: 26.7034 ± 0.0007 Å
• α: 90°
• β: 111.438 ± 0.001°
• γ: 90°
• Cell volume: 4039.19 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No