Information card for entry 1545862

Structure parameters

• Formula: C75 H72 I6 N12 O10.5 Zn3
• Calculated formula: C75 H72 I6 N12 O10.5 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: 34.1414 ± 0.0019 Å
• b: 14.5641 ± 0.0005 Å
• c: 34.9597 ± 0.0014 Å
• α: 90°
• β: 108.633 ± 0.005°
• γ: 90°
• Cell volume: 16472.2 ± 1.4 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: 0.0993
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No