Information card for entry 7038242

Structure parameters

• Formula: C58 H63 B Cl6 Cu N7
• Calculated formula: C58 H63 B Cl6 Cu0.999999 N7
• Title of publication: Copper-induced ammonia N-H functionalization.
• Authors of publication: Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14628 - 14633
• a: 20.1415 ± 0.0004 Å
• b: 20.1415 ± 0.0004 Å
• c: 24.6108 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8646.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1218
• 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: Yes
• Has Fobs: No