Information card for entry 2020762

Structure parameters

• Chemical name: Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) dinitrate
• Formula: C16 H22 Cu N6 O9
• Calculated formula: C16 H22 Cu N6 O9
• SMILES: [Cu]12([OH2])([O]=C(Nc3[n]1c(ccc3)C)C)[O]=C(Nc1[n]2c(ccc1)C)C.O=N(=O)[O-].O=N(=O)[O-]
• 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: 13.3089 ± 0.0002 Å
• b: 8.4494 ± 0.0001 Å
• c: 18.535 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084.3 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes