Information card for entry 7718938

Structure parameters

• Formula: C45.5 H60 N16 O6 Ti3
• Calculated formula: C45.5 H60 N16 O6 Ti3
• Title of publication: Reactivity of titanium pyrazolates towards CO₂, CS₂ and N₂O.
• Authors of publication: Kracht, Felix; Mayer, Sophie; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 28
• Pages of publication: 10890 - 10897
• a: 10.2731 ± 0.0003 Å
• b: 13.7173 ± 0.0004 Å
• c: 18.296 ± 0.0006 Å
• α: 82.355 ± 0.001°
• β: 81.594 ± 0.001°
• γ: 85.925 ± 0.001°
• Cell volume: 2524.38 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No