Information card for entry 4334759

Structure parameters

• Formula: C46 H42 F18 N13 P3 Ru2
• Calculated formula: C46 H42 F18 N13 P3 Ru2
• SMILES: c12cccc[n]1[Ru]134([n]5c(C2[N]3(Cc2[n]1cccc2)Cc1[n]4cccc1)cccc5)N=N#[N][Ru]1234[N](C(c5cccc[n]15)c1cccc[n]21)(Cc1[n]3cccc1)Cc1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State
• Authors of publication: Misaki Makino; Tomoya Ishizuka; Shingo Ohzu; Jiang Hua; Hiroaki Kotani; Takahiko Kojima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5507 - 5514
• a: 12.914 ± 0.004 Å
• b: 13.12 ± 0.004 Å
• c: 39.995 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6776 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 24
• Hermann-Mauguin space group symbol: I 21 21 21
• Hall space group symbol: I 2b 2c
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No