Information card for entry 4333432

Structure parameters

• Formula: C28 H25 F12 N11 P2 Ru
• Calculated formula: C28 H25 F12 N11 P2 Ru
• SMILES: [Ru]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[n]1ccncc1c1[n]3nn(C)n1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Polypyridyl ruthenium(II) complexes with tetrazolate-based chelating ligands. Synthesis, reactivity, and electrochemical and photophysical properties.
• Authors of publication: Stagni, Stefano; Orselli, Enrico; Palazzi, Antonio; De Cola, Luisa; Zacchini, Stefano; Femoni, Cristina; Marcaccio, Massimo; Paolucci, Francesco; Zanarini, Simone
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9126 - 9138
• a: 10.6288 ± 0.0007 Å
• b: 12.8757 ± 0.0008 Å
• c: 14.5384 ± 0.0009 Å
• α: 71.882 ± 0.001°
• β: 74.571 ± 0.001°
• γ: 71.725 ± 0.001°
• Cell volume: 1764.02 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0433
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No