Information card for entry 7711378

Structure parameters

• Formula: C144 H198 As N29 O28
• Calculated formula: C144 H198 As N29 O28
• Title of publication: Selective recognition and extraction of arsenate by a urea-functionalized tripodal receptor from competitive aqueous media
• Authors of publication: Dey, Dr. Sandeep Kumar Kumar; Gil-Hernández, Beatriz; Gobre, Vivekanand V.; Woschko, Dennis; Harmalkar, Sarvesh S.; Gayen, Firdaus Rahaman; Saha, Biswajit; Goswamee, Rajib Lochan; Janiak, Christoph
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.5033 ± 0.0013 Å
• b: 17.7141 ± 0.0013 Å
• c: 29.548 ± 0.002 Å
• α: 87.526 ± 0.004°
• β: 84.116 ± 0.004°
• γ: 82.468 ± 0.004°
• Cell volume: 9030.5 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1154
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2598
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No