Information card for entry 2237722

Structure parameters

• Chemical name: <i>catena</i>-Poly[[copper(I)-μ-2,6-bis[4-(pyridin-2-yl)thiazol-2-yl]pyridine] hexafluoridophosphate acetonitrile monosolvate]
• Formula: C23 H16 Cu F6 N6 P S2
• Calculated formula: C23 H16 Cu F6 N6 P S2
• Title of publication: <i>catena</i>-Poly[[copper(I)-μ-2,6-bis[4-(pyridin-2-yl)thiazol-2-yl]pyridine] hexafluoridophosphate acetonitrile monosolvate] from single-crystal synchrotron data
• Authors of publication: Xiao, Linda; Bhadbhade, Mohan; Baker, Anthony T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m231
• a: 12.525 ± 0.003 Å
• b: 13.95 ± 0.003 Å
• c: 14.626 ± 0.003 Å
• α: 90°
• β: 97.72 ± 0.03°
• γ: 90°
• Cell volume: 2532.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes