Information card for entry 7237790

Structure parameters

• Chemical name: Poly{[diaquabis(mu-6-aminopyridine-3-carboxylato-k2O,O':kO)calcium(II)]trihydrate}
• Formula: C12 H20 Ca N4 O9
• Calculated formula: C12 H20 Ca N4 O9
• Title of publication: Alkaline-earth and aminonicotinate based coordination polymers with combined fluorescence/long-lasting phosphorescence and metal ion sensing response
• Authors of publication: Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; Beobide, Garikoitz; Pérez-Yáñez, Sonia; García, Jose A.; San Sebastian, Eider; Seco, Jose M.; Cepeda, Javier
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 6997
• a: 17.335 ± 0.0014 Å
• b: 12.919 ± 0.001 Å
• c: 7.49 ± 0.0006 Å
• α: 90°
• β: 91.44 ± 0.003°
• γ: 90°
• Cell volume: 1676.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No