Information card for entry 4328885

Structure parameters

• Formula: C68 H42 B Cl4 Cu2 F24 N6 O4
• Calculated formula: C66 H38 B Cu2 F24 N6 O4
• Title of publication: Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes
• Authors of publication: Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4511 - 4520
• a: 14.1997 ± 0.0015 Å
• b: 15.3184 ± 0.0016 Å
• c: 18.656 ± 0.0019 Å
• α: 110.52 ± 0.001°
• β: 97.904 ± 0.001°
• γ: 106.547 ± 0.001°
• Cell volume: 3513.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No