Information card for entry 4339773

Structure parameters

• Formula: C26 H44 N9 O12 Yb
• Calculated formula: C26 H44 N9 O12 Yb
• SMILES: [Yb]12345([n]6c7cccc6C[NH]1[C@@H]1CCCC[C@H]1[NH]2Cc1cccc(C[NH]4[C@@H]2CCCC[C@H]2[NH]5C7)[n]31)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Lanthanide complexes of the chiral hexaaza macrocycle and its meso-type isomer: solvent-controlled helicity inversion.
• Authors of publication: Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7923 - 7934
• a: 10.701 ± 0.003 Å
• b: 12.479 ± 0.003 Å
• c: 24.07 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3214.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0204
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No