Information card for entry 7714990

Structure parameters

• Formula: C71 H67 F6 N7 O2 P3 Ru3
• Calculated formula: C71 H67 F6 N7 O2 P3 Ru3
• SMILES: [Ru]1234([Ru]([O]=C(O1)C)(N(c1[n]2ccc(c1)C)c1ccccc1)(N(c1[n]4ccc(c1)C)c1ccccc1)N(c1[n]3ccc(c1)C)c1ccccc1)[N]#C[Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[c]2([cH]4[cH]3[cH]51)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.9565 ± 0.0003 Å
• b: 15.044 ± 0.0003 Å
• c: 22.5663 ± 0.0004 Å
• α: 75.615 ± 0.0019°
• β: 81.7459 ± 0.0019°
• γ: 86.5897 ± 0.0019°
• Cell volume: 3564.55 ± 0.14 ų
• Cell temperature: 300.01 ± 0.14 K
• Ambient diffraction temperature: 300.01 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: micro-focusmetaljet
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No