Information card for entry 4325702

Structure parameters

• Formula: C74 H109 Lu N8 Ti6
• Calculated formula: C60 H93 Lu N8 Ti6
• Title of publication: Molecular Nitrides with Titanium and Rare-Earth Metals
• Authors of publication: Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6798 - 6808
• a: 14.6538 ± 0.0013 Å
• b: 15.439 ± 0.004 Å
• c: 16.711 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3780.7 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No