Information card for entry 4306121

Structure parameters

• Formula: C30 H48 Cl3 Er N4 Ti3
• Calculated formula: C30 H48 Cl3 Er N4 Ti3
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ti]162345N2[Ti]34578([c]9([c]3([c]4([c]5([c]79C)C)C)C)C)[NH]1[Er]1(Cl)(Cl)(Cl)[NH]6[Ti]34562([c]2([c]6([c]5([c]4([c]32C)C)C)C)C)[NH]81)C)C)C)C
• 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: 11.177 ± 0.004 Å
• b: 17.907 ± 0.002 Å
• c: 37.753 ± 0.006 Å
• α: 90°
• β: 94.39 ± 0.02°
• γ: 90°
• Cell volume: 7534 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2115
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No