Information card for entry 4334346

Structure parameters

• Formula: C44 H70 Ru2 Sn2
• Calculated formula: C44 H70 Ru2 Sn2
• SMILES: [Sn]12([Ru]34567([Sn]8(C(=C(C(=C8CC)CC)CC)CC)[Ru]89%10%1113[c]1(C)[c]%10([c]8([c]9([c]%111C)C)C)C)[c]1([c]4([c]6([c]5(C)[c]71C)C)C)C)C(=C(C(=C2CC)CC)CC)CC
• Title of publication: Unexpected Formation of Ru2Sn2 Bicyclic Four-Membered Ring Complexes with Butterfly and Inverse-Sandwich Structures
• Authors of publication: Takuya Kuwabara; Masaichi Saito; Jing-Dong Guo; Shigeru Nagase
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3585 - 3587
• a: 12.436 ± 0.0005 Å
• b: 9.9111 ± 0.0004 Å
• c: 34.8517 ± 0.0015 Å
• α: 90°
• β: 91.261 ± 0.001°
• γ: 90°
• Cell volume: 4294.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No