Information card for entry 4322717

Structure parameters

• Formula: C14 H42 Cl4 N6 O18
• Calculated formula: C14 H42 Cl4 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: 9.763 ± 0.002 Å
• b: 12.1988 ± 0.0007 Å
• c: 13.036 ± 0.002 Å
• α: 90°
• β: 105.668 ± 0.007°
• γ: 90°
• Cell volume: 1494.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No