Information card for entry 4313173

Structure parameters

• Formula: C20 H38 Cl1.5 Cu I0.5 N12 O9
• Calculated formula: C20 H38 Cl1.5 Cu I0.5 N12 O9
• Title of publication: Redox Active Macrocyclic Receptors for Neutral Guests
• Authors of publication: Paul V. Bernhardt; Elizabeth J. Hayes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1371 - 1377
• a: 11.715 ± 0.001 Å
• b: 12.108 ± 0.001 Å
• c: 13.423 ± 0.002 Å
• α: 93.58 ± 0.01°
• β: 108.33 ± 0.01°
• γ: 108.82 ± 0.01°
• Cell volume: 1682.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3857
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.3674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No