Information card for entry 1548349

Structure parameters

• Formula: Al2 Co1.13 H11.223 O20 P4
• Calculated formula: Al2 Co1.129 H11.224 O20 P4
• Title of publication: Hydrogen positions in single nanocrystals revealed by electron diffraction
• Authors of publication: Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana
• Journal of publication: Science
• Year of publication: 2017
• Journal volume: 355
• Journal issue: 6321
• Pages of publication: 166 - 169
• a: 8.4589 ± 0.0006 Å
• b: 16.5069 ± 0.0005 Å
• c: 5.0726 ± 0.0002 Å
• α: 90°
• β: 90.086 ± 0.005°
• γ: 90°
• Cell volume: 708.29 ± 0.06 ų
• Cell temperature: 94.98 ± 0.1 K
• Ambient diffraction temperature: 94.98 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for significantly intense reflections: 1.44
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No