Information card for entry 7719786

Structure parameters

• Common name: Triacetonitrileruthenium
• Chemical name: triacetonitrile(2,6-pyridinedicarboxylato)ruthenium
• Formula: C13 H14 N4 O5 Ru
• Calculated formula: C13 H14 N4 O5 Ru
• Title of publication: Dinitrogen-bridged diruthenium complexes bearing 2,6-pyridinedicarboxylate in the mixed-valence state.
• Authors of publication: Uehara, Kazunari; Kim, Nayoung; Benzaki, Aya; Otsuka, Midori; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 16328 - 16332
• a: 9.5692 ± 0.0003 Å
• b: 14.4596 ± 0.0004 Å
• c: 11.897 ± 0.0004 Å
• α: 90°
• β: 109.046 ± 0.001°
• γ: 90°
• Cell volume: 1556.03 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No