Information card for entry 7701597

Structure parameters

• Formula: C160 H408 N0 O188 Ti32
• Calculated formula: C160 H331.976 O149.988 Ti32
• Title of publication: Synthesis of titanium-oxo macrocyles and their catalytic properties for oxidative desulfurization.
• Authors of publication: Lv, Hai-Ting; Cui, Ying; Zou, Guo-Dong; Li, Na; Yang, Pei; Fan, Yang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14044 - 14048
• a: 33.635 ± 0.003 Å
• b: 33.635 ± 0.003 Å
• c: 13.0634 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14779 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.3005
• Weighted residual factors for all reflections included in the refinement: 0.3048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No