Information card for entry 7714997

Structure parameters

• Formula: C75 H75 F12 N7 O2 P4 Ru3
• Calculated formula: C75 H75 F12 N7 O2 P4 Ru3
• SMILES: [Ru]1234[Ru]([O]=C(O1)C)([n]1ccc(cc1N3c1ccccc1)C)([N]#C[Ru]13567([P](c8ccccc8)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[c]1([c]3([c]5(C)[c]6([c]71C)C)C)C)([n]1c(N4c3ccccc3)cc(cc1)C)[n]1c(N2c2ccccc2)cc(cc1)C.[P](F)(F)(F)(F)(F)[F-].[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: 61.4094 ± 0.0004 Å
• b: 11.1309 ± 0.0001 Å
• c: 26.7856 ± 0.0002 Å
• α: 90°
• β: 99.985 ± 0.001°
• γ: 90°
• Cell volume: 18031.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• 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