Information card for entry 4318022

Structure parameters

• Formula: C50 H108 Cl5 Co2 K N12 O37
• Calculated formula: C50 H94 Cl5 Co2 K N12 O37
• Title of publication: Crown Ether Appended Cyclam Receptors for Cationic Guests
• Authors of publication: Paul V. Bernhardt; Elizabeth J. Hayes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2892 - 2902
• a: 11.363 ± 0.001 Å
• b: 14.3133 ± 0.0009 Å
• c: 24.073 ± 0.004 Å
• α: 90°
• β: 97.13 ± 0.01°
• γ: 90°
• Cell volume: 3885 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2322
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.3043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No