Information card for entry 7705405

Structure parameters

• Formula: C122.8 H118.6 F6 O3.6 P3 Ru
• Calculated formula: C122.8 H118.6 F6 O3.6 P3 Ru
• Title of publication: Hexa-<i>peri</i>-hexabenzocoronene decorated with an allenylidene ruthenium complex - almost a flyswatter.
• Authors of publication: Lorenz, Rebecca; Reger, David; Weller, Ruth; Jux, Norbert; Burzlaff, Nicolai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 13134 - 13141
• a: 14.9819 ± 0.0003 Å
• b: 19.1809 ± 0.0004 Å
• c: 20.0515 ± 0.0004 Å
• α: 75.2303 ± 0.0017°
• β: 70.2676 ± 0.0018°
• γ: 67.3264 ± 0.0019°
• Cell volume: 4952.68 ± 0.19 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0683
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No