Information card for entry 1100749

Structure parameters

• Formula: C59.6 H78.4 Co4 F12 N12 O17.6 P2
• Calculated formula: C59.6 H44 Co4 F12 N12 O17.6 P2
• Title of publication: The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes
• Authors of publication: Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3374 - 3376
• a: 11.867 ± 0.004 Å
• b: 14.534 ± 0.006 Å
• c: 12.289 ± 0.005 Å
• α: 70.09 ± 0.01°
• β: 80.6 ± 0.01°
• γ: 69.86 ± 0.01°
• Cell volume: 1868.5 ± 1.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0838
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No