Information card for entry 7038239

Structure parameters

• Formula: C38 H47 B Cu N7
• Calculated formula: C38 H46.9999 B Cu N6.99999
• 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: 11.6413 ± 0.0004 Å
• b: 11.6413 ± 0.0004 Å
• c: 45.352 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5322.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No