Information card for entry 7227857

Structure parameters

• Chemical name: Poly{[octaaquabis(mu-6-aminopyridine-3-carboxylato-kN:kO)dimanganese(II)]di(mu-6-aminopyridine-3-carboxylato)}
• Formula: C24 H36 Mn2 N8 O16
• Calculated formula: C24 H36 Mn2 N8 O16
• SMILES: [Mn]1([OH2])([OH2])([n]2cc(ccc2N)C(=O)O[Mn]([n]2cc(ccc2N)C(=O)O1)([OH2])([OH2])([OH2])[OH2])([OH2])[OH2].O=C(c1cnc(cc1)N)[O-].c1c(ccc(n1)N)C(=O)[O-]
• Title of publication: From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets
• Authors of publication: Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 2229
• a: 7.622 ± 0.001 Å
• b: 19.178 ± 0.002 Å
• c: 10.846 ± 0.0013 Å
• α: 90°
• β: 96.04 ± 0.002°
• γ: 90°
• Cell volume: 1576.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No