Information card for entry 4333594

Structure parameters

• Formula: C42 H62 Cu F4 N5 O3 S Ti3
• Calculated formula: C36 H57 Cu F3 N5 O3 S Ti3
• Title of publication: Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand
• Authors of publication: Avelino Martín; Noelia Martínez-Espada; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 918 - 930
• a: 11.2364 ± 0.0007 Å
• b: 17.283 ± 0.004 Å
• c: 25.424 ± 0.006 Å
• α: 90°
• β: 94.77 ± 0.01°
• γ: 90°
• Cell volume: 4920.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No