Information card for entry 1554184

Structure parameters

• Formula: C28 H20 I2
• Calculated formula: C28 H20 I2
• Title of publication: Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.
• Authors of publication: Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Mézière, Cécile; Bastien, Guillaume; Lemouchi, Cyprien; Garcia-Garibay, Miguel A; Batail, Patrick
• Journal of publication: Nano letters
• Year of publication: 2018
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 3780 - 3784
• a: 10.0535 ± 0.0008 Å
• b: 7.3424 ± 0.0005 Å
• c: 16.0744 ± 0.0015 Å
• α: 90°
• β: 91.669 ± 0.006°
• γ: 90°
• Cell volume: 1186.06 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No