Information card for entry 2213910

Structure parameters

• Chemical name: catena-Poly[nickel(II)-bis(μ-3,7-dichloroquinoline-8-carboxylato- κ^3^<i>N</i>,<i>O</i>:<i>O</i>')]
• Formula: C20 H8 Cl4 N2 Ni O4
• Calculated formula: C20 H8 Cl4 N2 Ni O4
• SMILES: [Ni]123OC(c4c5[n]3cc(Cl)cc5ccc4Cl)=[O][Ni]34([O]=C(O1)c1c5[n]2cc(Cl)cc5ccc1Cl)(OC(c1c2[n]4cc(Cl)cc2ccc1Cl)=O)OC(c1c2[n]3cc(Cl)cc2ccc1Cl)=O
• Title of publication: <i>catena</i>-Poly[nickel(II)-bis(μ-3,7-dichloroquinoline-8-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')]
• Authors of publication: Yun-Huai Zhang; Feng-Jing Wu; Xue-Ming Li; Mao-Chuan Zhu; Yun Gong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1557 - m1557
• a: 13.4603 ± 0.0014 Å
• b: 15.8837 ± 0.0019 Å
• c: 9.204 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1967.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes