Information card for entry 2229910

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)nickel(II)]-μ- 2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^<i>N</i>^2^:<i>N</i>^4^]
• Formula: C20 H18 N6 Ni O6
• Calculated formula: C20 H18 N6 Ni O6
• SMILES: [Ni](OC=O)(OC=O)([OH2])([OH2])[n]1ccc(cc1)c1nc(c2ccncc2)nc(n1)c1cc[n](cc1)[Ni](OC=O)(OC=O)([OH2])([OH2])[n]1ccc(cc1)c1nc(nc(n1)c1ccncc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)nickel(II)]-μ-2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^<i>N</i>^2^:<i>N</i>^4^]
• Authors of publication: Feng, Miao; Tian, Hui-Juan; Mi, Huai-Feng; Hu, Tong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m563
• a: 24.725 ± 0.005 Å
• b: 10.969 ± 0.002 Å
• c: 7.4196 ± 0.0015 Å
• α: 90°
• β: 90.23 ± 0.03°
• γ: 90°
• Cell volume: 2012.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes