Information card for entry 1557515

Structure parameters

• Formula: C102 H110 Li4 N6 O18
• Calculated formula: C102 H110 Li4 N6 O18
• Title of publication: Nanoscale rotational dynamics of four independent rotators confined in crowded crystalline layers.
• Authors of publication: Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Lemouchi, Cyprien; Allain, Magali; Zorina, Leokadiya; Batail, Patrick
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 8294 - 8302
• a: 11.098 ± 0.002 Å
• b: 11.0981 ± 0.0009 Å
• c: 42.151 ± 0.008 Å
• α: 91.082 ± 0.009°
• β: 97.39 ± 0.01°
• γ: 115.846 ± 0.008°
• Cell volume: 4617.1 ± 1.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.1252
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No