Information card for entry 4509926

Structure parameters

• Formula: C90 H108 O18 Ru6 Sn6
• Calculated formula: C90 H108 O18 Ru6 Sn6
• SMILES: O1[Sn]234([O]=C(O[Sn]567([O]2[Sn]28([O]=C([c]9%10[cH]%11[cH]%12[cH]%13[cH]9[Ru]9%14%15%16%10%11%12%13[cH]%10[cH]9[cH]%16[cH]%14[cH]%15%10)[O][Sn]9%10([O]=C([c]%11%12[cH]%13[cH]%14[cH]%15[cH]%11[Ru]%11%16%17%18%12%13%14%15[cH]%12[cH]%11[cH]%18[cH]%16[cH]%17%12)O[Sn]%11%12(OC(=[O][Sn](OC(=[O]7)[c]7%13[cH]%14[cH]%15[cH]%16[cH]7[Ru]7%17%18%19%13%14%15%16[cH]%13[cH]7[cH]%17[cH]%18[cH]%19%13)([O]35)([O]6%11)(CCCC)[O]%10%12)[c]35[cH]6[cH]7[cH]9[cH]3[Ru]3%10%11%125679[cH]5[cH]3[cH]%10[cH]%12[cH]5%11)([O]29)CCCC)([O]48)CCCC)([O]=C1[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]8[cH]7[cH]62)CCCC)CCCC)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)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: 12.959 ± 0.005 Å
• b: 13.832 ± 0.005 Å
• c: 14.44 ± 0.005 Å
• α: 69.617 ± 0.005°
• β: 66.648 ± 0.005°
• γ: 79.195 ± 0.005°
• Cell volume: 2223.9 ± 1.4 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: 0.0485
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No