Information card for entry 4502477

Structure parameters

• Formula: C27 H21 N12 O6 Ru
• Calculated formula: C27 H21 N12 O6 Ru
• SMILES: c1c[nH]c2c3[n](cc[nH]3)[Ru]34([n]12)([n]1cc[nH]c1c1[n]4cc[nH]1)[n]1cc[nH]c1c1[n]3cc[nH]1.[O-]C(=O)c1cc(C(=O)[O-])cc(c1)C(=O)[O-]
• Title of publication: Liquid-Assisted Solid-State Reaction: Formation of a Three-Dimensional Hydrogen-Bonded Network and Evidence for Proton Induced Electron Transfer
• Authors of publication: Yang, Li-Fei; Cao, Man-Li; Cui, Ying; Wu, Jin-Ji; Ye, Bao-Hui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1263
• a: 16.9242 ± 0.0013 Å
• b: 29.187 ± 0.002 Å
• c: 10.8676 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5368.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No