Information card for entry 2235825

Structure parameters

• Chemical name: Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]
• Formula: C43.3 H36 N9.9 O26.1 Zn2.35
• Calculated formula: C43.3 H36 N9.9 O26.1 Zn2.35
• Title of publication: Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]
• Authors of publication: Tabatabaee, Masoumeh; Derikvand, Zohreh; Attar Gharamaleki, Jafar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1035
• a: 14.5775 ± 0.0016 Å
• b: 14.5775 ± 0.0016 Å
• c: 6.3506 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1168.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes