Information card for entry 2017231

Structure parameters

• Chemical name: (Acetato-κ<i>O</i>)aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(picolinato- κ^2^<i>N</i>,<i>O</i>)copper(II) 0.87-hydrate
• Formula: C11 H13 Cu N3 O5.87
• Calculated formula: C11 H13 Cu N3 O5.8655
• Title of publication: (Acetato-κ<i>O</i>)aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(picolinato-κ^2^<i>N</i>,<i>O</i>)copper(II) 0.87-hydrate: a <i>Z</i>' <b>></b> 1 structure
• Authors of publication: Chamayou, Anne-Christine; Biswas, Chaitali; Ghosh, Ashutosh; Janiak, Christoph
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m311 - m313
• a: 15.5708 ± 0.0013 Å
• b: 6.5334 ± 0.0005 Å
• c: 29.437 ± 0.002 Å
• α: 90°
• β: 110.333 ± 0.005°
• γ: 90°
• Cell volume: 2808 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes