Information card for entry 2100591

Structure parameters

• Formula: C60 H66 N6 O18 Zn3
• Calculated formula: C60 H66 N6 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: 11.777 ± 0.004 Å
• b: 14.727 ± 0.006 Å
• c: 19.487 ± 0.007 Å
• α: 90°
• β: 101.748 ± 0.007°
• γ: 90°
• Cell volume: 3309 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes