Information card for entry 1546104

Structure parameters

• Formula: C21 H51.5 La N3 O19.75
• Calculated formula: C21 H51.498 La N3 O19.749
• SMILES: [La]123([O]=C4C=CN(C)C(=C4O1)C)([O]=C1C=CN(C(=C1O2)C)C)([O]=C1C=CN(C(=C1O3)C)C)([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: La(III) biodistribution profiles from intravenous and oral dosing of two lanthanum complexes, La(dpp)3 and La(XT), and evaluation as treatments for bone resorption disorders
• Authors of publication: Weekes, David M.; Cawthray, Jacqueline F.; Rieder, Meghanne; Syeda, Jaweria; Ali, Munawar; Wasan, Ellen; Kostelnik, Tom Kostelnik; Patrick, Brian O.; Panahifar, A.; Cooper, David M.L.; Al-Dissi, Ahmad; Wasan, Kishor; Orvig, Chris
• Journal of publication: Metallomics
• Year of publication: 2017
• a: 10.8019 ± 0.0016 Å
• b: 11.2323 ± 0.0015 Å
• c: 15.296 ± 0.002 Å
• α: 73.963 ± 0.006°
• β: 79.565 ± 0.005°
• γ: 73.194 ± 0.004°
• Cell volume: 1697.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No