Information card for entry 1100748

Structure parameters

• Formula: C54 H70.16 Cl2 Co4 N12 O27.08
• Calculated formula: C54 H48 Cl2 Co4 N12 O27.08
• 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: 10.523 ± 0.005 Å
• b: 13.556 ± 0.005 Å
• c: 12.465 ± 0.005 Å
• α: 110.15 ± 0.01°
• β: 95.25 ± 0.02°
• γ: 92.05 ± 0.02°
• Cell volume: 1658 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0785
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections: 0.1696
• Weighted residual factors for significantly intense reflections: 0.1546
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No