Information card for entry 2211091

Structure parameters

• Chemical name: Tetra-μ-acetamidato-κ^4^N,O;κ^4^O,N-bis[aquaruthenium(II,III)](Ru—Ru) tetraphenylborate monohydrate
• Formula: C32 H42 B N4 O7 Ru2
• Calculated formula: C32 H42 B N4 O7 Ru2
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1(C)O[Ru]234([NH]=C(C)O[Ru]4([NH]=C(C)O3)([NH]=1)(OC(C)=[NH]2)[OH2])[OH2].O
• Title of publication: Tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[aquaruthenium(II,III)]<i>(Ru{—</i>Ru)} tetraphenylborate monohydrate
• Authors of publication: Fuma, Yasuhiro; Ebihara, Masahiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2808 - m2810
• a: 9.562 ± 0.002 Å
• b: 13.554 ± 0.003 Å
• c: 13.848 ± 0.003 Å
• α: 77.739 ± 0.006°
• β: 84.236 ± 0.008°
• γ: 75.068 ± 0.007°
• Cell volume: 1692.6 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No