Information card for entry 2019468

Structure parameters

• Chemical name: Poly[[aqua(μ-benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^)(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(II)] trihydrate]
• Formula: C18 H20 Co N2 O8
• Calculated formula: C18 H19 Co N2 O7.5
• Title of publication: The structure of {[Co(pht)(bpy)(H~2~O)]·3H~2~O}~<i>n~</i> (pht is phthalate and bpy is 4,4'-bipyridine) and the role of solvent water clusters in structure stability
• Authors of publication: Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Cukiernik, Fabio D.; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 440 - 444
• a: 11.0975 ± 0.0006 Å
• b: 8.4039 ± 0.0003 Å
• c: 11.3732 ± 0.0006 Å
• α: 90°
• β: 115.564 ± 0.007°
• γ: 90°
• Cell volume: 956.85 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes