Information card for entry 7708699

Structure parameters

• Formula: C23 H31 N2 O9 Ru2
• Calculated formula: C23 H31 N2 O9 Ru2
• SMILES: [Ru]123(OC(=CC(=[O]1)C)C)([O]=C(C=C(O2)C)C)O[Ru]12(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]1)C)C)n1[n]3ccc1
• 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: 30.4609 ± 0.0005 Å
• b: 8.1403 ± 0.0001 Å
• c: 23.6002 ± 0.0004 Å
• α: 90°
• β: 109.249 ± 0.002°
• γ: 90°
• Cell volume: 5524.77 ± 0.16 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: 0.0692
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No