Information card for entry 7708702

Structure parameters

• Formula: C25 H35 N2 O9 Ru2
• Calculated formula: C25 H35 N2 O9 Ru2
• SMILES: [Ru]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)O[Ru]12(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)n1[n]3c(cc1C)C
• Title of publication: Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)
• Authors of publication: Lahiri, Goutam Kumar; Bera, Sudip Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.7709 ± 0.0004 Å
• b: 11.4776 ± 0.0004 Å
• c: 13.8804 ± 0.0007 Å
• α: 99.002 ± 0.004°
• β: 105.311 ± 0.004°
• γ: 107.152 ± 0.003°
• Cell volume: 1529.46 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No