Information card for entry 2209537

Structure parameters

• Chemical name: Bis(propane-1,3-diaminium) tris(pyridine-2,6-dicarboxylato-κ^3^O,N,O')cerate(III) nitrate 3.5-hydrate
• Formula: C27 H40 Ce N8 O18.5
• Calculated formula: C27 H39.5 Ce N8 O18.5
• Title of publication: Bis(propane-1,3-diaminium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cerate(III) nitrate 3.5-hydrate
• Authors of publication: Aghabozorg, Hossein; Nakhjavan, Bahar; Ghadermazi, Mohammad; Ramezanipour, Farshid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1527 - m1529
• a: 10.4071 ± 0.001 Å
• b: 13.7063 ± 0.0014 Å
• c: 14.3438 ± 0.0014 Å
• α: 65.385 ± 0.005°
• β: 80.327 ± 0.005°
• γ: 78.883 ± 0.005°
• Cell volume: 1816.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes