Information card for entry 4333643

Structure parameters

• Formula: C25 H35 Cl7 N6 O7 P2 Ru
• Calculated formula: C25 H35 Cl7 N6 O7 P2 Ru
• SMILES: [Ru]12(Cl)([P]34OCC(CO4)(CO3)CC)([P]34OCC(CO3)(CO4)CC)OCC(n3[n]1ccc3)(n1[n]2ccc1)n1nccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: 2,2,2-Tris(pyrazolyl)ethoxide (EpOX) Ruthenium(II) Complexes, (EpOX)RuCl(L)(L'): Synthesis, Structure, and Reactivity
• Authors of publication: Brandon Quillian; Evan E. Joslin; T. Brent Gunnoe; Michal Sabat; William H. Myers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1113 - 1121
• a: 12.7055 ± 0.0002 Å
• b: 16.1466 ± 0.0002 Å
• c: 18.7558 ± 0.0003 Å
• α: 90°
• β: 106.703 ± 0.002°
• γ: 90°
• Cell volume: 3685.42 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No