Information card for entry 7244457

Structure parameters

• Formula: C36 H56 Cu2 N6 O26.5 P3
• Calculated formula: C36 H34 Cu2 N6 O26.5 P3
• Title of publication: Supramolecular interaction of inositol phosphates with Cu(II): comparative study InsP6-InsP3
• Authors of publication: Quiñone, Delfina; Veiga, Nicolás; Savastano, Matteo; Torres, Julia; Bianchi, Antonio; Kremer, Carlos; Bazzicalupi, Carla
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 14.6359 ± 0.0005 Å
• b: 14.6677 ± 0.0005 Å
• c: 15.1995 ± 0.0008 Å
• α: 63.897 ± 0.004°
• β: 64.765 ± 0.004°
• γ: 65.067 ± 0.004°
• Cell volume: 2538.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No