Information card for entry 4322734

Structure parameters

• Chemical name: (Pyridine-2,6-dicarboxylic acid)triaquocalcium(II) tris(pyridine- 2,6-dicarboxylato)cerate(IV) pentahydrate
• Formula: C28 H30 Ca Ce N4 O24
• Calculated formula: C28 H24 Ca Ce N4 O24
• Title of publication: [Ca(dipicH2)(OH2)3][Ce(dipic)3].5H2O: A One-Dimensional Coordination Polymer with Alternating CeN3O6 and CaNO7 Polyhedra (dipicH2 = Pyridine-2,6-dicarboxylic Acid)
• Authors of publication: G. Swarnabala; M. V. Rajasekharan
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1483 - 1485
• a: 11.234 ± 0.002 Å
• b: 12.719 ± 0.004 Å
• c: 16.142 ± 0.004 Å
• α: 95.63 ± 0.02°
• β: 103.73 ± 0.02°
• γ: 113.83 ± 0.02°
• Cell volume: 2000.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.1196
• Goodness-of-fit parameter for all reflections: 1.117
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No