Information card for entry 2215985

Structure parameters

• Chemical name: <i>catena</i>-poly-[[(terephthalato-κ^2^<i>O</i>:<i>O</i>)bis(di-4- pyridylamine-κN)nickel(II)]-μ-di-4-pyridylamine-κ^2^<i>N</i>:<i>N'</i>]
• Formula: C38 H30 N9 Ni O4
• Calculated formula: C38 H30 N9 Ni O4
• SMILES: [Ni]1([O]=C(O1)c1ccc(cc1)C(=O)[O-])([n]1ccc(Nc2ccncc2)cc1)([n]1ccc(Nc2ccncc2)cc1)([n]1ccc(Nc2ccncc2)cc1)[n]1ccc(Nc2cc[n]([Ni]3([O]=C(O3)c3ccc(cc3)C(=O)[O-])([n]3ccc(Nc4ccncc4)cc3)[n]3ccc(Nc4ccncc4)cc3)cc2)cc1
• Title of publication: <i>catena</i>-Poly[[bis(di-4-pyridylamine-κ<i>N</i>)(terephthalato-κ^2^<i>O</i>,<i>O</i>')nickel(II)]-μ-di-4-pyridylamine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Braverman, Maxwell A.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2780 - m2780
• a: 17.025 ± 0.003 Å
• b: 11.048 ± 0.002 Å
• c: 18.736 ± 0.004 Å
• α: 90°
• β: 110.281 ± 0.003°
• γ: 90°
• Cell volume: 3305.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1389
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes