Information card for entry 7047707

Structure parameters

• Formula: C26 H34 Cl2 Cu F6 N4 O8
• Calculated formula: C26 H34 Cl2 Cu F6 N4 O8
• Title of publication: Copper(ii) complexes for cysteine detection using ¹⁹F magnetic resonance.
• Authors of publication: Enriquez, José S; Yu, Meng; Bouley, Bailey S.; Xie, Da; Que, Emily L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 15024 - 15030
• a: 8.2343 ± 0.001 Å
• b: 8.8063 ± 0.0012 Å
• c: 20.987 ± 0.003 Å
• α: 90°
• β: 99.076 ± 0.003°
• γ: 90°
• Cell volume: 1502.8 ± 0.3 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No