Information card for entry 7718466

Structure parameters

• Formula: C50 H94 B2 Cl5 Cu5 N4 P4
• Calculated formula: C50 H94 B2 Cl5 Cu5 N4 P4
• Title of publication: σ-BH activation of NHC → BH₃ fragments in dinuclear Cu complexes.
• Authors of publication: Camy, Aurèle; Martins-Bessa, David; Vendier, Laure; Fernández, Israel; Bontemps, Sébastien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 7333 - 7339
• a: 13.9113 ± 0.0002 Å
• b: 44.7705 ± 0.0005 Å
• c: 45.9595 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28624.3 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0221
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No