Information card for entry 7044950

Structure parameters

• Formula: C27 H46 Br0.33 Cu0.33 N O13 P Ti3
• Calculated formula: C27 H53 Br0.333333 Cu0.333333 N O13 P Ti3
• Title of publication: Ligand dependent assembly of trinuclear titanium-oxo units into coordination tetrahedra and capsules.
• Authors of publication: Fan, Xi; Narayanam, Nagaraju; Gao, Meiyan; Zhang, Lei; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 663 - 665
• a: 19.0415 ± 0.0006 Å
• b: 19.0415 ± 0.0006 Å
• c: 20.0613 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6299.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No