Information card for entry 4310879

Structure parameters

• Formula: C60 H95 K N8 Ti6
• Calculated formula: C60 H94.98 K N8 Ti6
• Title of publication: Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals
• Authors of publication: Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2491 - 2498
• a: 18.5226 ± 0.0017 Å
• b: 18.5226 ± 0.0017 Å
• c: 15.4736 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4597.5 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No