Information card for entry 7700115

Structure parameters

• Common name: dipicolylamine squaramate
• Chemical name: 3-(bis(pyridin-2-ylmethyl)amino)-4-ethoxycyclobut-3-ene-1,2-dione
• Formula: C18 H17 N3 O3
• Calculated formula: C18 H17 N3 O3
• Title of publication: Phosphate and polyphosphate anion recognition by a dinuclear copper(ii) complex of an unsymmetrical squaramide.
• Authors of publication: Esteves, Catarina V.; Costa, Judite; Esteban-Gómez, David; Lamosa, Pedro; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphäel; Delgado, Rita
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10104 - 10115
• a: 10.7368 ± 0.0006 Å
• b: 10.5661 ± 0.0006 Å
• c: 14.2037 ± 0.0008 Å
• α: 90°
• β: 92.133 ± 0.005°
• γ: 90°
• Cell volume: 1610.24 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No