Information card for entry 4333460

Structure parameters

• Formula: C88 H100 Cl12 O24 Ti6
• Calculated formula: C88 H100 Cl12 O24 Ti6
• Title of publication: Structurally Diverse Aggregating Condensations of Ti(IV) Catecholates
• Authors of publication: Wallace, Warren A.; Potvin, Pierre G.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9463 - 9472
• a: 12.6267 ± 0.0006 Å
• b: 13.4917 ± 0.0006 Å
• c: 15.6335 ± 0.0009 Å
• α: 95.798 ± 0.003°
• β: 97.372 ± 0.003°
• γ: 104.835 ± 0.003°
• Cell volume: 2528.2 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.117
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No