Information card for entry 4303417

Structure parameters

• Common name: Ru2(TPG)3(OAc)N3,(H2O)4
• Formula: C59 H52 N12 O2.5 Ru2
• Calculated formula: C59 H52 N12 O2.5 Ru2
• SMILES: [Ru]1234([O]=C(O[Ru]1([N](=C(Nc1ccccc1)N2c1ccccc1)c1ccccc1)(N(C(=[N]c1ccccc1)N3c1ccccc1)c1ccccc1)[N](=C(Nc1ccccc1)N4c1ccccc1)c1ccccc1)C)N=N#N.O
• Title of publication: Chloro and Azido Diruthenium Complexes Bearing Electron-Rich N,N',N''-Triphenylguanidinate Ligands
• Authors of publication: József S. Pap; Jamie L. Snyder; Paula M. B. Piccoli; John F. Berry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9846 - 9852
• a: 20.526 ± 0.003 Å
• b: 14.431 ± 0.003 Å
• c: 35.793 ± 0.006 Å
• α: 90°
• β: 105.605 ± 0.004°
• γ: 90°
• Cell volume: 10211 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No