Information card for entry 4339001

Structure parameters

• Formula: C27 H25 F8 N10 O P Ru
• Calculated formula: C27 H25 F6 N10 O P Ru
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1[n]3cccc1)[n]1c(cncc1)c1n4nnn1.[P](F)(F)(F)(F)(F)[F-].O.C(C)OCC
• 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: 29.426 ± 0.006 Å
• b: 13.159 ± 0.003 Å
• c: 16.647 ± 0.003 Å
• α: 90°
• β: 111.1 ± 0.03°
• γ: 90°
• Cell volume: 6014 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No