Information card for entry 7125545

Structure parameters

• Formula: C44 H32 Cl4 Co2 N4 O4
• Calculated formula: C44 H32 Cl4 Co2 N4 O4
• 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: 8.5272 ± 0.0006 Å
• b: 18.3653 ± 0.0013 Å
• c: 13.3493 ± 0.0009 Å
• α: 90°
• β: 103.574 ± 0.002°
• γ: 90°
• Cell volume: 2032.2 ± 0.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No