Information card for entry 4333501

Structure parameters

• Formula: C33 H33 Cl3 N P2 Ru
• Calculated formula: C33 H33 Cl3 N P2 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1
• Title of publication: On an Electrode Modified by a Supramolecular Ruthenium Mixed Valence (RuII/RuIII) Diphosphine-Porphyrin Assembly
• Authors of publication: Dinelli, Luis R.; Von Poelhsitz, Gustavo; Castellano, Eduardo E.; Ellena, Javier; Galembeck, Sérgio E.; Batista, Alzir A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 4692 - 4700
• a: 32.194 ± 0.003 Å
• b: 11.0531 ± 0.0009 Å
• c: 35.705 ± 0.003 Å
• α: 90°
• β: 103.259 ± 0.006°
• γ: 90°
• Cell volume: 12366.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 4302162
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No