Information card for entry 1545870

Structure parameters

• Formula: C71.25 H57.96 Br1.92 I6 N12 Zn3
• Calculated formula: C71.25 H57.963 Br1.923 I6 N12 Zn3
• Title of publication: The crystalline sponge method updated
• Authors of publication: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto
• Journal of publication: IUCrJ
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 139 - 151
• a: 35.8691 ± 0.0014 Å
• b: 14.8864 ± 0.0003 Å
• c: 31.2823 ± 0.0009 Å
• α: 90°
• β: 102.711 ± 0.004°
• γ: 90°
• Cell volume: 16294.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No