Information card for entry 1545869

Structure parameters

• Formula: C123 H112.85 I11.99 N24 O12.39 Zn5.99
• Calculated formula: C123 H112.848 I11.99 N24 O12.384 Zn5.995
• 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: 14.8303 ± 0.0005 Å
• b: 17.913 ± 0.0008 Å
• c: 29.8943 ± 0.0008 Å
• α: 96.803 ± 0.003°
• β: 93.488 ± 0.003°
• γ: 110.229 ± 0.004°
• Cell volume: 7355 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No