Information card for entry 7044948

Structure parameters

• Formula: C21 H39 N O12 P Ti3
• Calculated formula: C21 H39 N O12 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: 12.9697 ± 0.0007 Å
• b: 14.2366 ± 0.0006 Å
• c: 16.8559 ± 0.0008 Å
• α: 90°
• β: 99.38 ± 0.005°
• γ: 90°
• Cell volume: 3070.7 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No