Information card for entry 4518127

Structure parameters

• Formula: C54 H67 Cu2 F6 N8 O14 S2
• Calculated formula: C54 H59 Cu2 F6 N8 O14 S2
• Title of publication: Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.
• Authors of publication: La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 41
• Pages of publication: 26573 - 26582
• a: 10.2103 ± 0.0006 Å
• b: 17.798 ± 0.0011 Å
• c: 17.8614 ± 0.0011 Å
• α: 66.3506 ± 0.0012°
• β: 86.0444 ± 0.0013°
• γ: 80.6582 ± 0.0013°
• Cell volume: 2933.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No