Information card for entry 4349307

Structure parameters

• Formula: C16 H17 N3 O7
• Calculated formula: C16 H17 N3 O7
• SMILES: C(=O)(c1cccc(C[NH+](CC(=O)[O-])Cc2cccc(C(=O)O)n2)n1)O.O
• Title of publication: Dipicolinate Complexes of Gallium(III) and Lanthanum(III).
• Authors of publication: Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12544 - 12558
• a: 8.053 ± 0.0006 Å
• b: 13.8608 ± 0.001 Å
• c: 13.8522 ± 0.0011 Å
• α: 90°
• β: 93.471 ± 0.002°
• γ: 90°
• Cell volume: 1543.4 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No