Information card for entry 2207046

Structure parameters

• Formula: C28 H18 Cu F6 N4 O4 S2
• Calculated formula: C28 H18 Cu F6 N4 O4 S2
• Title of publication: <i>catena</i>-Poly[[bis(α-thenoyltrifluoroacetonato)copper(II)]-μ-1,4-di-4-pyridyl-2,3-diazabuta-1,3-diene]
• Authors of publication: Perkins, William J.; Maxwell, Tamara; Goforth, Andrea M.; Smith, Mark D.; Peterson Jr, LeRoy; zur Loye, Hans-Conrad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2047 - m2049
• a: 8.689 ± 0.0011 Å
• b: 9.7518 ± 0.0013 Å
• c: 10.2035 ± 0.0013 Å
• α: 116.398 ± 0.002°
• β: 99.417 ± 0.002°
• γ: 97.919 ± 0.002°
• Cell volume: 741.99 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No