Information card for entry 4509929

Structure parameters

• Formula: C76 H108 O10 Ru4 Sn4
• Calculated formula: C76 H108 O10 Ru4 Sn4
• SMILES: [cH]12[c]3([cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]7[cH]8[cH]6[cH]12)C1=[O][Sn]2([O]([Sn]([O]1)(OC(=O)[c]13[cH]4[Ru]56789%103([cH]1[cH]5[cH]46)[cH]1[cH]%10[cH]9[cH]8[cH]71)(CCCC)CCCC)[Sn]1(OC(=[O][Sn](OC(=O)[c]34[cH]5[cH]6[cH]7[cH]3[Ru]389%104567[cH]4[cH]%10[cH]9[cH]8[cH]34)([O]21)(CCCC)CCCC)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(CCCC)CCCC)(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: 12.481 ± 0.005 Å
• b: 13.445 ± 0.005 Å
• c: 13.744 ± 0.005 Å
• α: 61.104 ± 0.005°
• β: 72.618 ± 0.005°
• γ: 84.29 ± 0.005°
• Cell volume: 1924.2 ± 1.3 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: 0.0534
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No