Information card for entry 7125546

Structure parameters

• Formula: C27 H26 Cu N2 O7
• Calculated formula: C27 H26 Cu N2 O7
• Title of publication: Three unique coordination geometries involving 1,2-dimethoxy-4,5-bis(2-pyridylethynyl)benzene
• Authors of publication: Fiscus, Jeffrey E.; Shotwell, Sandra; Layland, Ralph C.; Smith, Mark D.; zur Loye, Hans-Conrad; Bunz, Uwe H. F.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2674
• a: 8.2357 ± 0.0004 Å
• b: 12.5088 ± 0.0006 Å
• c: 13.3128 ± 0.0006 Å
• α: 78.3 ± 0.001°
• β: 72.117 ± 0.001°
• γ: 76.681 ± 0.001°
• Cell volume: 1257.12 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No