Information card for entry 4316814

Structure parameters

• Formula: C103 H101 Fe N5 O1.75 P2 Ru
• Calculated formula: C103.812 H102.624 Fe N5 O1.75 P2 Ru
• Title of publication: Self-Assembled Molecular Wires from Organoiron Metalloligands and Ruthenium Tetramesitylporphyrin
• Authors of publication: Floriane Malvolti; Paul Le Maux; Loic Toupet; Mark E. Smith; Wing Y. Man; Paul J. Low; Erwan Galardon; Gérard Simonneaux; Frédéric Paul
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9101 - 9103
• a: 15.5321 ± 0.0002 Å
• b: 16.7539 ± 0.0003 Å
• c: 19.2157 ± 0.0003 Å
• α: 84.327 ± 0.001°
• β: 85.949 ± 0.001°
• γ: 65.99 ± 0.001°
• Cell volume: 4542.79 ± 0.13 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No