Information card for entry 4023592

Structure parameters

• Formula: C34 H54 N12 O12 Ti
• Calculated formula: C34 H54 N12 O12 Ti
• Title of publication: Synthesis and Conformational Analysis of Constrained Ethylene-Bridged Bis(hydroxylamino-1,3,5-triazine) Compounds as Tetradentate Ligands; Structure of Rigid Dinuclear Ti(IV) Complex
• Authors of publication: Tal Hermon; Edit Y. Tshuva
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5953 - 5958
• a: 10.58 ± 0.003 Å
• b: 12.585 ± 0.003 Å
• c: 18.065 ± 0.004 Å
• α: 89.161 ± 0.005°
• β: 76.392 ± 0.005°
• γ: 82.305 ± 0.005°
• Cell volume: 2316.2 ± 1 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.3359
• Residual factor for significantly intense reflections: 0.1618
• Weighted residual factors for significantly intense reflections: 0.4253
• Weighted residual factors for all reflections included in the refinement: 0.4964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No