Information card for entry 2232601

Structure parameters

• Chemical name: <i>catena</i>-Poly[[copper(II)-bis[μ-bis(pyridin-3-yl)methanone- κ^2^<i>N</i>:<i>N</i>']] bis(tetrafluoridoborate)]
• Formula: C22 H16 B2 Cu F8 N4 O2
• Calculated formula: C22 H16 B2 Cu F8 N4 O2
• SMILES: [Cu]1([n]2cccc(c2)C(=O)c2c[n](ccc2)[Cu][n]2cccc(c2)C(=O)c2c[n]1ccc2)([n]1cccc(c1)C(=O)c1cnccc1)[n]1cccc(c1)C(=O)c1cnccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: <i>catena</i>-Poly[[copper(II)-bis[μ-bis(pyridin-3-yl)methanone-κ^2^<i>N</i>:<i>N</i>']] bis(tetrafluoridoborate)]
• Authors of publication: Liu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1888 - m1889
• a: 7.5542 ± 0.0013 Å
• b: 8.7861 ± 0.0015 Å
• c: 10.3389 ± 0.0017 Å
• α: 101.28 ± 0.002°
• β: 109.236 ± 0.002°
• γ: 108.869 ± 0.002°
• Cell volume: 576.96 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes