Information card for entry 7043405

Structure parameters

• Formula: C96 H126 Cu4 N16 O44 P2
• Calculated formula: C96 H126 Cu4 N16 O44 P2
• Title of publication: Recognition of Phosphopeptides by a Dinuclear Copper(II) Macrocyclic Complex in Water:Methanol 50:50 v/v Solution
• Authors of publication: Mesquita, Lígia M.; Mateus, Pedro; Fernandes, Rui D. V.; Iranzo, Olga; André, Vânia; Tiago de Oliveira, Filipe; Platas-Iglesias, Carlos; Delgado, Rita
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.6536 ± 0.0006 Å
• b: 18.7909 ± 0.0009 Å
• c: 26.3295 ± 0.0012 Å
• α: 81.48 ± 0.002°
• β: 79.723 ± 0.002°
• γ: 88.933 ± 0.002°
• Cell volume: 6091.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.2086
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No