Information card for entry 4336554

Structure parameters

• Formula: C27 H48 Cl3 N6 O4 Y
• Calculated formula: C27 H48 Cl3 N6 O4 Y
• 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: 8.138 ± 0.002 Å
• b: 16.612 ± 0.003 Å
• c: 23.266 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3145.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No