Information card for entry 7034113

Structure parameters

• Formula: C16 H18 Mn O5 Ru S
• Calculated formula: C16 H18 Mn O5 Ru S
• SMILES: C(#[O])[Mn]1(C#[O])(C#[O])(C#[O])[S](C)[Ru]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)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: 14.0465 ± 0.0007 Å
• b: 9.2479 ± 0.0004 Å
• c: 15.2684 ± 0.0005 Å
• α: 90°
• β: 104.888 ± 0.004°
• γ: 90°
• Cell volume: 1916.79 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No