Information card for entry 2100590

Structure parameters

• Formula: C36 H44 N4 O18 Zn3
• Calculated formula: C36 H44 N4 O18 Zn3
• Title of publication: Two-dimensional metal-organic frameworks containing linear dicarboxylates
• Authors of publication: S. M. Hawxwell; H. Adams; L. Brammer
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: 808 - 814
• a: 12.968 ± 0.002 Å
• b: 9.761 ± 0.003 Å
• c: 18.336 ± 0.002 Å
• α: 90°
• β: 108.69 ± 0.03°
• γ: 90°
• Cell volume: 2198.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.846 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No