Information card for entry 2221451

Structure parameters

• Chemical name: (μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato- κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis[aqua(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(tetrafluoridoborate) monohydrate
• Formula: C34 H34 B2 Cu2 F8 N4 O7
• Calculated formula: C34 H34 B2 Cu2 F8 N4 O7
• Title of publication: (μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(tetrafluoridoborate) monohydrate
• Authors of publication: Tovilla, Jorge A.; Hernández-Ortega, Simón; Valdés-Martínez, Jesús
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m366 - m367
• a: 11.5555 ± 0.0009 Å
• b: 12.0954 ± 0.0009 Å
• c: 15.4446 ± 0.0012 Å
• α: 67.654 ± 0.001°
• β: 78.89 ± 0.001°
• γ: 72.784 ± 0.001°
• Cell volume: 1899.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes