Information card for entry 2020763

Structure parameters

• Chemical name: Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bis(perchlorate)
• Formula: C16 H22 Cl2 Cu N4 O11
• Calculated formula: C16 H22 Cl2 Cu N4 O10.994
• Title of publication: Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands
• Authors of publication: Smolentsev, Anton I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• a: 18.7332 ± 0.0004 Å
• b: 8.2315 ± 0.0002 Å
• c: 15.7876 ± 0.0003 Å
• α: 90°
• β: 109.1 ± 0.001°
• γ: 90°
• Cell volume: 2300.46 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes