Information card for entry 4322718

Structure parameters

• Formula: C14 H40 Cl4 Cu N6 O18
• Calculated formula: C14 H40 Cl4 Cu N6 O18
• Title of publication: New Stereoselective Routes to Macrocyclic Ligands
• Authors of publication: Paul V. Bernhardt; Philip C. Sharpe
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1629 - 1636
• a: 9.717 ± 0.004 Å
• b: 12.174 ± 0.002 Å
• c: 13.062 ± 0.005 Å
• α: 90°
• β: 106.51 ± 0.02°
• γ: 90°
• Cell volume: 1481.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No