Information card for entry 4328882

Structure parameters

• Formula: C108.19 H70.38 B2 Cl4.38 Cu2 F48 N8 O4
• Calculated formula: C108.19 H70.38 B2 Cl4.38 Cu2 F48 N8 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: 13.4261 ± 0.0006 Å
• b: 16.2349 ± 0.0008 Å
• c: 27.272 ± 0.0013 Å
• α: 90°
• β: 100.903 ± 0.003°
• γ: 90°
• Cell volume: 5837.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.1192
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No