Information card for entry 4509928

Structure parameters

• Formula: C108 H96 O18 Ru6 Sn6
• Calculated formula: C108 H96 O18 Ru6 Sn6
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)C1=[O][Sn]234([O]5[Sn]67(O1)([O]4[Sn]14([O]8[Sn]9%10%11([O]3[Sn]5([O]=C(O2)[c]23[cH]5[cH]%12[Ru]%13%14%15%16%1735([cH]2[cH]%12%17)[cH]2[cH]%15[cH]%16[cH]%13[cH]%142)([O]%10[Sn]8([O]=C([c]23[cH]5[cH]8[cH]%10[cH]2[Ru]2%11%12%13358%10[cH]3[cH]%13[cH]%12[cH]%11[cH]23)O%11)(OC(=[O]1)[c]12[cH]3[cH]5[cH]8[cH]1[Ru]1%10%11%122358[cH]2[cH]1[cH]%10[cH]%12[cH]%112)(Cc1ccccc1)[O]74)([O]=C(O9)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]17892345[cH]2[cH]1[cH]8[cH]7[cH]92)Cc1ccccc1)Cc1ccccc1)(OC(=[O]6)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• 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: 15.068 ± 0.005 Å
• b: 15.086 ± 0.005 Å
• c: 15.68 ± 0.005 Å
• α: 69.769 ± 0.005°
• β: 68.998 ± 0.005°
• γ: 71.416 ± 0.005°
• Cell volume: 3044.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No