Information card for entry 7041378

Structure parameters

• Formula: C102 H190 O72 P2 Ti18
• Calculated formula: C102 H160 O72 P2 Ti18
• Title of publication: Synthetic investigation, structural analysis and photocatalytic study of a carboxylate-phosphonate bridged Ti18-oxo cluster.
• Authors of publication: Fang, Wei-Hui; Zhang, Lei; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 803 - 807
• a: 14.013 ± 0.007 Å
• b: 14.568 ± 0.009 Å
• c: 21.464 ± 0.015 Å
• α: 82.47 ± 0.02°
• β: 76.55 ± 0.03°
• γ: 67.69 ± 0.02°
• Cell volume: 3938 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.273
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.2732
• Weighted residual factors for all reflections included in the refinement: 0.3622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No