Information card for entry 4133422

Structure parameters

• Formula: C104 H104 La3 N16 O32
• Calculated formula: C104 H104 La3 N16 O32
• Title of publication: H₄octox: Versatile Bimodal Octadentate Acyclic Chelating Ligand for Medicinal Inorganic Chemistry.
• Authors of publication: Wang, Xiaozhu; Jaraquemada-Peláez, María de Guadalupe; Rodríguez-Rodríguez, Cristina; Cao, Yang; Buchwalder, Christian; Choudhary, Neha; Jermilova, Una; Ramogida, Caterina F.; Saatchi, Katayoun; Häfeli, Urs O; Patrick, Brian O.; Orvig, Chris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 45
• Pages of publication: 15487 - 15500
• a: 14.5237 ± 0.0008 Å
• b: 23.9029 ± 0.0014 Å
• c: 38.344 ± 0.002 Å
• α: 90°
• β: 90.844 ± 0.004°
• γ: 90°
• Cell volume: 13310 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No