Information card for entry 4318021

Structure parameters

• Formula: C25 H49 Cl2 Co N6 O14
• Calculated formula: C25 H49 Cl2 Co N6 O13.994
• 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: 28.664 ± 0.002 Å
• b: 14.036 ± 0.009 Å
• c: 18.187 ± 0.002 Å
• α: 90°
• β: 90.17 ± 0.01°
• γ: 90°
• Cell volume: 7317 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2575
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2738
• Weighted residual factors for all reflections included in the refinement: 0.372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No