Information card for entry 7714991

Structure parameters

• Formula: C38 H38 Cl F6 N6 O3 P Ru2
• Calculated formula: C38 H38 Cl F6 N6 O3 P Ru2
• SMILES: [Ru]1234[Ru](Cl)([O]=C(O2)C)([n]2c(N4c4ccccc4)cc(cc2)C)([n]2c(N1c1ccccc1)cc(cc2)C)[n]1ccc(cc1N3c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-].O
• 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: 10.546 ± 0.007 Å
• b: 14.17 ± 0.008 Å
• c: 14.588 ± 0.009 Å
• α: 94.314 ± 0.014°
• β: 110.729 ± 0.016°
• γ: 96.166 ± 0.012°
• Cell volume: 2012 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.2588
• Weighted residual factors for all reflections included in the refinement: 0.2727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No