Information card for entry 1554183

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: 33.802 ± 0.003 Å
• b: 7.3184 ± 0.0009 Å
• c: 33.855 ± 0.005 Å
• α: 90°
• β: 100.321 ± 0.008°
• γ: 90°
• Cell volume: 8239.4 ± 1.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.1012
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No