Information card for entry 7712444

Structure parameters

• Formula: C29 H34 Cl2 N6 O15 Ru2
• Calculated formula: C29 H34 Cl2 N6 O15 Ru2
• SMILES: [Ru]12345([Ru]67(O1)(OC(=O)O3)(O2)[n]1ccccc1C[N]6(Cc1[n]7cccc1)CC)[n]1ccccc1C[N]5(Cc1[n]4cccc1)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Ru(IV)-Ru(IV) complexes having the doubly oxido-bridged core with a bridging carbonato or hydrogencarbonato ligand.
• Authors of publication: Misawa-Suzuki, Tomoyo; Nagao, Hirotaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2863 - 2871
• a: 12.1701 ± 0.0002 Å
• b: 13.1905 ± 0.0002 Å
• c: 13.4573 ± 0.0003 Å
• α: 116.757 ± 0.002°
• β: 91.744 ± 0.001°
• γ: 98.84 ± 0.001°
• Cell volume: 1893.88 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No