Information card for entry 4003346

Structure parameters

• Formula: C108 H176 Br4 Cu4 N4 O48 P4 Ti12
• Calculated formula: C108 H159 Br4 Cu4 N4 O48 P4 Ti12
• Title of publication: Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials
• Authors of publication: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 2681
• a: 13.56 ± 0.002 Å
• b: 25.683 ± 0.005 Å
• c: 26.59 ± 0.005 Å
• α: 99.185 ± 0.008°
• β: 104.314 ± 0.006°
• γ: 104.895 ± 0.006°
• Cell volume: 8421 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No