Information card for entry 2014257

Structure parameters

• Chemical name: catena-poly[[aquadipyridinenickel(II)]-μ-2,2'-dithiodibenzoato- κ^3^O,O':O'']
• Formula: C24 H20 N2 Ni O5 S2
• Calculated formula: C24 H20 N2 Ni O5 S2
• SMILES: [Ni]1([O]=C(O1)c1ccccc1SSc1ccccc1C(=O)[O-])([OH2])([n]1ccccc1)([n]1ccccc1)OC(=O)c1c(SSc2c(C3=[O][Ni](O3)([OH2])([n]3ccccc3)[n]3ccccc3)cccc2)cccc1
• Title of publication: A one-dimensional ladder-like coordination polymer derived from chains formed <i>via</i> hydrogen bonds: <i>catena</i>-poly[[aquadipyridinenickel(II)]-μ-2,2'-dithiodibenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']
• Authors of publication: Zhao, Wen-Na; Zou, Jian-Wei; Yu, Qing-Shen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m443 - m444
• a: 13.925 ± 0.003 Å
• b: 15.099 ± 0.003 Å
• c: 12.581 ± 0.003 Å
• α: 90°
• β: 114 ± 0.03°
• γ: 90°
• Cell volume: 2416.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes