Information card for entry 2219823

Structure parameters

• Chemical name: catena-Poly[[[bis[aquanickel(II)]bis(μ-pyridine-2,6-dicarboxylato N-oxide)]-μ-1,2-di-4-pyridylethane] tetrahydrate]
• Formula: C26 H30 N4 Ni2 O16
• Calculated formula: C26 H30 N4 Ni2 O16
• SMILES: [Ni]12([OH2])(OC(=O)c3n(=[O]1)c(ccc3)C(=O)O[Ni]1([OH2])OC(=O)c3n(=[O]1)c(ccc3)C(=O)O2)[n]1ccc(cc1)CCc1cc[n](cc1)[Ni]12([OH2])OC(=O)c3n(=[O]1)c(ccc3)C(=O)O[Ni]1([OH2])(OC(=O)c3n(=[O]1)c(ccc3)C(=O)O2)[n]1ccc(cc1)CCc1ccncc1.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis[aquanickel(II)]bis(μ-pyridine-2,6-dicarboxylato <i>N</i>-oxide)]-μ-1,2-di-4-pyridylethane] tetrahydrate]
• Authors of publication: Yang, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1358
• a: 8.2803 ± 0.0016 Å
• b: 10.3542 ± 0.0015 Å
• c: 11.1326 ± 0.0016 Å
• α: 113.727 ± 0.002°
• β: 104.282 ± 0.002°
• γ: 100.255 ± 0.002°
• Cell volume: 804.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes