Information card for entry 4334318

Structure parameters

• Formula: C21 H30 N4 O12 Zn2
• Calculated formula: C21 H30 N4 O12 Zn2
• Title of publication: Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules
• Authors of publication: Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3891 - 3899
• a: 12.662 ± 0.003 Å
• b: 14.662 ± 0.003 Å
• c: 15.434 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2865.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No