Information card for entry 7239609

Structure parameters

• Formula: C16 H10 I2 N2 O4
• Calculated formula: C16 H10 I2 N2 O4
• Title of publication: Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics
• Authors of publication: Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 68
• Pages of publication: 39662
• a: 8.4936 ± 0.0015 Å
• b: 9.6878 ± 0.0017 Å
• c: 11.232 ± 0.0019 Å
• α: 102.855 ± 0.002°
• β: 100.713 ± 0.0018°
• γ: 107.846 ± 0.003°
• Cell volume: 824.9 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0329
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No