Information card for entry 2209103

Structure parameters

• Chemical name: catena-Poly[[[aqua(di-2-pyridylamine-κ^2^N:N')nickel(II)]-μ-4-aminobenzoato- κ^3^O,O':N] chloride trihydrate]
• Formula: C17 H23 Cl N4 Ni O6
• Calculated formula: C17 H23 Cl N4 Ni O6
• SMILES: [Ni]12([O]=C(O1)c1ccc(N)cc1)([OH2])([n]1ccccc1Nc1[n]2cccc1)[NH2]c1ccc(cc1)C1=[O][Ni]2(O1)([OH2])[n]1ccccc1Nc1[n]2cccc1.[Cl-].O.O.O.[Cl-].O.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-4-aminobenzoato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>] chloride trihydrate]
• Authors of publication: Li, Li; Wang, Yue; Okabe, Nobuo; Odoko, Mamiko; Lu, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1390 - m1392
• a: 11.28 ± 0.01 Å
• b: 14.51 ± 0.01 Å
• c: 12.22 ± 0.02 Å
• α: 90°
• β: 90.11 ± 0.05°
• γ: 90°
• Cell volume: 2000 ± 4 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No