Information card for entry 7718937

Structure parameters

• Formula: C41 H50 N12 O9 Ti2
• Calculated formula: C41 H50 N12 O9 Ti2
• 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: 12.0147 ± 0.0016 Å
• b: 12.7078 ± 0.0017 Å
• c: 29.572 ± 0.004 Å
• α: 90°
• β: 92.721 ± 0.003°
• γ: 90°
• Cell volume: 4510 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No