Information card for entry 4306123

Structure parameters

• Formula: C62 H80 Cl2 N4 Ti3 Y2
• Calculated formula: C62 H80 Cl2 N4 Ti3 Y2
• Title of publication: Yttrium and Erbium Halide Complexes with [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] as a Neutral Tridentate Ligand
• 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: 2008
• Journal volume: 47
• Pages of publication: 7077 - 7079
• a: 12.2049 ± 0.0013 Å
• b: 12.384 ± 0.004 Å
• c: 21.873 ± 0.006 Å
• α: 89.121 ± 0.019°
• β: 75.73 ± 0.018°
• γ: 75.31 ± 0.019°
• Cell volume: 3095.3 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1048
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No