Information card for entry 7705345

Structure parameters

• Formula: C36 H51 O20 Ru4
• Calculated formula: C36 H51 O20 Ru4
• SMILES: [Ru]123(OC(=CC(=[O]1)C)C)([O]=C(O[Ru]1456([Ru]78(OC(=CC(=[O]8)C)C)([O]=C(O4)C)([O]5[Ru]45(OC(=CC(=[O]5)C)C)(OC(=CC(=[O]4)C)C)[O]=C(O7)C)[O]26)[O]=C(C=C(O1)C)C)C)[O]=C(C)C=C(O3)C
• Title of publication: Unprecedented metal-metal bonded {Ru₄(μ₃-O)₂} butterfly core in oxido-carboxylato bridged mixed valence cluster-structural elucidation and electronic forms in accessible redox states.
• Authors of publication: Bera, Sudip Kumar; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13573 - 13581
• a: 11.8572 ± 0.0003 Å
• b: 13.8306 ± 0.0003 Å
• c: 14.3293 ± 0.0003 Å
• α: 74.4373 ± 0.0018°
• β: 89.4963 ± 0.0017°
• γ: 80.0332 ± 0.0019°
• Cell volume: 2227.82 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No