Information card for entry 7038240

Structure parameters

• Formula: C40 H51 B Cu N7
• Calculated formula: C40 H51 B Cu 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: 17.1818 ± 0.0009 Å
• b: 13.6111 ± 0.0006 Å
• c: 16.4367 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3843.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No