Information card for entry 7009311

Structure parameters

• Formula: C39 H57 Ag Cl2 Cu N8 O12.5
• Calculated formula: C39 H57 Ag Cl2 Cu N8 O12.5
• Title of publication: d10 Cations within triple-helical cryptand hosts; a structural and modelling study
• Authors of publication: Drew, Michael G. B.; Farrell, David; Morgan, Grace G.; McKee, Vickie; Nelson, Jane
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1513
• a: 15.569 ± 0.003 Å
• b: 14.289 ± 0.004 Å
• c: 22.001 ± 0.004 Å
• α: 90°
• β: 105.755 ± 0.011°
• γ: 90°
• Cell volume: 4710.6 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.1395
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No