Information card for entry 1566970

Structure parameters

• Formula: C78 H69 B2 Cu4 F16 N14 O12.5 S4
• Calculated formula: C77.962 H69 B2 Cu4 F15.886 N13.962 O12.462 S4.05
• Title of publication: Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.
• Authors of publication: Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6619 - 6625
• a: 12.4859 ± 0.0001 Å
• b: 32.2974 ± 0.0003 Å
• c: 21.2406 ± 0.0002 Å
• α: 90°
• β: 90.543 ± 0.001°
• γ: 90°
• Cell volume: 8565.14 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No