Information card for entry 2015539

Structure parameters

• Chemical name: bis[1-(3-pyridyl)butane-1,3-dionato]copper(II)
• Formula: C18 H16 Cu N2 O4
• Calculated formula: C18 H16 Cu N2 O4
• Title of publication: Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones
• Authors of publication: Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m443 - m447
• a: 6.6044 ± 0.0011 Å
• b: 9.2107 ± 0.0015 Å
• c: 13.95 ± 0.002 Å
• α: 90°
• β: 101.217 ± 0.003°
• γ: 90°
• Cell volume: 832.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes