Information card for entry 1518561

Structure parameters

• Formula: C7 H6 Cs I O3
• Calculated formula: C7 H4 Cs I O3
• Title of publication: Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-Iodobenzoate) (M = Li(+), Na(+), K(+), Rb(+), and Cs(+)).
• Authors of publication: Endo, Manami; Nakane, Yuta; Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 4
• Pages of publication: 1768 - 1777
• a: 19.6351 ± 0.0003 Å
• b: 4.13863 ± 0.0001 Å
• c: 12.4789 ± 0.0002 Å
• α: 90°
• β: 106.518 ± 0.001°
• γ: 90°
• Cell volume: 972.22 ± 0.03 ų
• Cell temperature: 119 K
• Ambient diffraction temperature: 119 K
• Number of distinct elements: 5
• 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: 0.1074
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2447
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No