Information card for entry 7714996

Structure parameters

• Formula: C38 H36 Cl N6 O2 Ru2
• Calculated formula: C38 H36 Cl N6 O2 Ru2
• SMILES: [Ru]1234([Ru]([O]=C(O1)C)(N(c1ccccc1)c1[n]4ccc(c1)C)(N(c1[n]2ccc(c1)C)c1ccccc1)N(c1ccccc1)c1[n]3ccc(c1)C)Cl
• Title of publication: Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru^II complexes.
• Authors of publication: Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5010 - 5019
• a: 18.459 ± 0.003 Å
• b: 19.596 ± 0.003 Å
• c: 20.09 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7267 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No