Information card for entry 4317334

Structure parameters

• Formula: C30 H75 Cl Cu O16 Ti4
• Calculated formula: C30 H75 Cl Cu O16 Ti4
• Title of publication: Single-Source Materials for Metal-Doped Titanium Oxide: Syntheses, Structures, and Properties of a Series of Heterometallic Transition-Metal Titanium Oxo Cages
• Authors of publication: Salvador Eslava; Mary McPartlin; Richard I. Thomson; Jeremy M. Rawson; Dominic S. Wright
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11532 - 11540
• a: 11.6537 ± 0.0003 Å
• b: 11.8104 ± 0.0003 Å
• c: 19.9739 ± 0.0008 Å
• α: 87.12 ± 0.002°
• β: 80.609 ± 0.002°
• γ: 60.787 ± 0.002°
• Cell volume: 2365.91 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1474
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No