Information card for entry 4336555

Structure parameters

• Formula: C28 H43 Cl3 N7 O Yb
• Calculated formula: C28 H43 Cl3 N7 O Yb
• SMILES: [Yb]12345(Cl)([n]6c7cccc6C[NH]1[C@@H]1CCCC[C@H]1[NH]2Cc1[n]3c(ccc1)C[NH]4[C@@H]1CCCC[C@H]1[NH]5C7)[OH2].[Cl-].[Cl-].N#CC
• 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: 7.969 ± 0.002 Å
• b: 18.679 ± 0.005 Å
• c: 20.558 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3060.1 ± 1.3 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No