Information card for entry 7708706

Structure parameters

• Formula: C24 H30 N16 O Ru2
• Calculated formula: C24 H28 N16 O Ru2
• SMILES: [Ru]12(O[Ru](n3nccc3)([n]3[nH]ccc3)([n]3[nH]ccc3)(n3[n]2ccc3)[n]2n1ccc2)([n]1[nH]ccc1)([n]1[nH]ccc1)n1nccc1
• 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: 29.6769 ± 0.0004 Å
• b: 29.6769 ± 0.0004 Å
• c: 15.2915 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13467.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No