Information card for entry 4320370

Structure parameters

• Formula: C16 H43 Cl0.5 Cu N11.5 O15
• Calculated formula: C16 H38 Cl0.5 Cu N11.5 O15
• Title of publication: Carboxymethylated Cage Amines: Coordination and Lactamization
• Authors of publication: Paul S. Donnelly; Jack M. Harrowfield; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5645 - 5652
• a: 11.01 ± 0.001 Å
• b: 12.943 ± 0.001 Å
• c: 19.68 ± 0.002 Å
• α: 90°
• β: 92.506 ± 0.001°
• γ: 90°
• Cell volume: 2801.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections: 1.57
• Goodness-of-fit parameter for all reflections included in the refinement: 1.707
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No