Information card for entry 4083284

Structure parameters

• Formula: C76 H65 F24 N21 P4 Ru2
• Calculated formula: C76 H65 F24 N21 P4 Ru2
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(c1[n]2cccc1)c1[n]2[Ru]67([n]8ccccc8c52)([n]2c1cccc2)[n]1c2ccccc2n(c1c1[n]6c(ccc1)c1[n]7c2ccccc2n1C)C)[n]1c2ccccc2n(c1c1[n]3c(ccc1)c1[n]4c2ccccc2n1C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Tuning of Metal‒Metal Interactions in Mixed-Valence States of Cyclometalated Dinuclear Ruthenium and Osmium Complexes Bearing Tetrapyridylpyrazine or -benzene
• Authors of publication: Nagashima, Takumi; Nakabayashi, Takuya; Suzuki, Takashi; Kanaizuka, Katsuhiko; Ozawa, Hiroaki; Zhong, Yu-Wu; Masaoka, Shigeyuki; Sakai, Ken; Haga, Masa-aki
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4893
• a: 10.5623 ± 0.0018 Å
• b: 13.393 ± 0.002 Å
• c: 31.978 ± 0.005 Å
• α: 80.219 ± 0.002°
• β: 84.491 ± 0.002°
• γ: 67.483 ± 0.002°
• Cell volume: 4115.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0591
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No