Information card for entry 4336549

Structure parameters

• Formula: C28 H40 Cl6 N6
• Calculated formula: C27.996 H39.996 Cl5.988 N6
• 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: 14.23 ± 0.005 Å
• b: 10.235 ± 0.003 Å
• c: 11.719 ± 0.003 Å
• α: 90°
• β: 96.81 ± 0.03°
• γ: 90°
• Cell volume: 1694.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No