Information card for entry 4336556

Structure parameters

• Formula: C26 H42 N9 O11 Sm
• Calculated formula: C26 H42 N9 O11 Sm
• Title of publication: Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes
• Authors of publication: Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12450 - 12460
• a: 14.358 ± 0.005 Å
• b: 15.289 ± 0.005 Å
• c: 15.568 ± 0.004 Å
• α: 90°
• β: 105.24 ± 0.03°
• γ: 90°
• Cell volume: 3297.3 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No