Information card for entry 4318025

Structure parameters

• Formula: C29 H60 Cl3 Co N6 Na O21.5
• Calculated formula: C29 H60 Cl3 Co N6 Na O21.5
• 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: 10.755 ± 0.005 Å
• b: 10.948 ± 0.002 Å
• c: 20.69 ± 0.003 Å
• α: 104.52 ± 0.01°
• β: 97.42 ± 0.02°
• γ: 106.05 ± 0.02°
• Cell volume: 2214.3 ± 1.2 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: 0.3031
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.3388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No