Information card for entry 7107517

Structure parameters

• Formula: C28 H22 N4 O13 Zn3
• Calculated formula: C28 H22 N4 O13 Zn3
• Title of publication: Ring-size controllable metallamacrocycles as building blocks for the construction of microporous metal-organic frameworks
• Authors of publication: Zhi-Qiang Jiang; Guiyuan Jiang; Fei Wang; Zhen Zhao; Jian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3653
• a: 22 ± 0.01 Å
• b: 22 ± 0.01 Å
• c: 23 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11132 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No