Information card for entry 2213752

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(di-2-pyridylamine-κ^2^N^2^,N^2'^)nickel(II)]- μ-carbonato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] trihydrate]
• Formula: C11 H15 N3 Ni O6
• Calculated formula: C11 H15 N3 Ni O6
• SMILES: [Ni]12([n]3c(Nc4[n]1cccc4)cccc3)(OC(=O)O2)[O]=C1O[Ni]2([n]3c(Nc4[n]2cccc4)cccc3)O1.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)nickel(II)]-μ-carbonato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] trihydrate]
• Authors of publication: Xiu-Li You; Li-Hua Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1691 - m1691
• a: 11.2453 ± 0.0011 Å
• b: 7.1554 ± 0.0007 Å
• c: 17.3387 ± 0.0016 Å
• α: 90°
• β: 101.106 ± 0.001°
• γ: 90°
• Cell volume: 1369 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes