Information card for entry 4322362

Structure parameters

• Chemical name: (1,4,7,10‒tetrakis((S)‒2‒hydroxy‒3‒phenoxypropyl) ‒1,4,7,10‒tetraazacyclododecane) cadmium(II) diperchlorate
• Formula: C44 H52 Cd Cl2 N4 O16
• Calculated formula: C44 H52 Cd Cl2 N4 O16
• Title of publication: Metal Ion Dependent Molecular Inclusion Chemistry: Inclusion of p-Toluenesulfonate and p-Nitrophenolate within the Structure of Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane
• Authors of publication: Christopher B. Smith; Kia S. Wallwork; Jennifer M. Weeks; Mark A. Buntine; Stephen F. Lincoln; Max R. Taylor; Kevin P. Wainwright
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4986 - 4992
• a: 9.8736 ± 0.0002 Å
• b: 10.8633 ± 0.0003 Å
• c: 23.4208 ± 0.0006 Å
• α: 77.326 ± 0.001°
• β: 80.511 ± 0.001°
• γ: 73.931 ± 0.001°
• Cell volume: 2340.57 ± 0.1 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.149
• Weighted residual factors for significantly intense reflections: 0.143
• Goodness-of-fit parameter for all reflections: 1.269
• Goodness-of-fit parameter for significantly intense reflections: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: xray_tube
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No