Information card for entry 7708700

Structure parameters

• Formula: C27 H33 N2 O9 Ru2
• Calculated formula: C27 H33 N2 O9 Ru2
• SMILES: [Ru]123(O[Ru]45(OC(=CC(=[O]5)C)C)(OC(=CC(=[O]4)C)C)n4[n]3cc3c4cccc3)([O]=C(C)C=C(O1)C)[O]=C(C=C(O2)C)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: 10.8202 ± 0.0008 Å
• b: 11.3874 ± 0.0008 Å
• c: 14.8695 ± 0.001 Å
• α: 110.833 ± 0.006°
• β: 96.149 ± 0.006°
• γ: 111.215 ± 0.007°
• Cell volume: 1536.7 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1148
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No