Information card for entry 4305621

Structure parameters

• Formula: C40 H61 N15 O19 Pr2
• Calculated formula: C40 H61 N15 O19 Pr2
• Title of publication: Lanthanide Complexes of the Heterochiral Nonaaza Macrocycle: Switching the Orientation of the Helix Axis
• Authors of publication: Janusz Gregoliński; Tadeusz Lis; Marta Cyganik; Jerzy Lisowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11527 - 11534
• a: 11.135 ± 0.005 Å
• b: 19.326 ± 0.008 Å
• c: 23.497 ± 0.01 Å
• α: 90°
• β: 93.52 ± 0.03°
• γ: 90°
• Cell volume: 5047 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No