Information card for entry 1548083

Structure parameters

• Chemical name: Zn6B3O6(DPPA)9
• Formula: C124 H122 B3 O28 P9 Zn6
• Calculated formula: C124 H122 B3 O28 P9 Zn6
• Title of publication: Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles
• Authors of publication: Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 13008
• a: 18.9696 ± 0.0003 Å
• b: 19.3442 ± 0.0003 Å
• c: 35.8523 ± 0.0007 Å
• α: 100.397 ± 0.0016°
• β: 98.3638 ± 0.0016°
• γ: 98.829 ± 0.0015°
• Cell volume: 12582.2 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0451
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9889
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No