Information card for entry 7708704

Structure parameters

• Formula: C25 H35 N2 O9 Ru2
• Calculated formula: C25 H35 N2 O9 Ru2
• SMILES: [Ru]123(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]1)C)C)O[Ru]12(OC(=CC(=[O]1)C)C)([O]=C(C)C=C(O2)C)[n]1n3c(C)cc1C
• 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: 30.8051 ± 0.0007 Å
• b: 8.1833 ± 0.0002 Å
• c: 24.031 ± 0.0006 Å
• α: 90°
• β: 104.8 ± 0.002°
• γ: 90°
• Cell volume: 5856.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No