Information card for entry 4509930

Structure parameters

• Formula: C30 H36 O4 Ru2 Sn
• Calculated formula: C30 H36 O4 Ru2 Sn
• SMILES: [Sn]1(OC(=[O]1)[c]12[Ru]3456789([cH]([cH]26)[cH]4[cH]13)[cH]1[cH]5[cH]7[cH]8[cH]91)(OC(=O)[c]12[Ru]3456789([cH]([cH]4[cH]13)[cH]26)[cH]1[cH]5[cH]8[cH]7[cH]91)(CCCC)CCCC
• Title of publication: Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
• Authors of publication: Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 861
• a: 21.612 ± 0.005 Å
• b: 9.698 ± 0.005 Å
• c: 26.478 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5550 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No