Information card for entry 4349309

Structure parameters

• Formula: C14 H15 N3 O5
• Calculated formula: C14 H15 N3 O5
• SMILES: C(=O)(c1cccc(C[NH2+]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: 7.3614 ± 0.0012 Å
• b: 12.8124 ± 0.0018 Å
• c: 15.475 ± 0.002 Å
• α: 73.422 ± 0.007°
• β: 89.813 ± 0.008°
• γ: 81.366 ± 0.009°
• Cell volume: 1381.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No