Information card for entry 7718936

Structure parameters

• Formula: C28 H36 N8 S2 Ti
• Calculated formula: C28 H36 N8 S2 Ti
• 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: 14.9266 ± 0.0007 Å
• b: 16.7993 ± 0.0008 Å
• c: 24.6971 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6193 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No