Information card for entry 7119819

Structure parameters

• Formula: C54 H126 Cl6 Cu2 O32 Ti12
• Calculated formula: C54 H126 Cl6 Cu2 O32 Ti12
• Title of publication: Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.
• Authors of publication: Fang, Wei-Hui; Zhang, Lei; Zhang, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 3949
• a: 14.632 ± 0.003 Å
• b: 15.107 ± 0.003 Å
• c: 21.839 ± 0.004 Å
• α: 91.04 ± 0.03°
• β: 91.22 ± 0.03°
• γ: 93.17 ± 0.03°
• Cell volume: 4818 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1509
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No