Information card for entry 1572317

Structure parameters

• Formula: C96 H178 Cl14 O54 Sn6 Ti14
• Calculated formula: C96 H178 Cl14 O54 Sn6 Ti14
• Title of publication: Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors
• Authors of publication: Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 16451 - 16457
• a: 15.2738 ± 0.0002 Å
• b: 23.1167 ± 0.0002 Å
• c: 23.1453 ± 0.0002 Å
• α: 90°
• β: 106.909 ± 0.001°
• γ: 90°
• Cell volume: 7818.84 ± 0.15 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No