Information card for entry 7038244

Structure parameters

• Formula: C50 H55 B Cl2 Cu N7
• Calculated formula: C50 H55 B Cl2 Cu N7
• SMILES: [Cu]12([n]3n(ccc3c3c(cc(cc3C)C)C)[BH](n3[n]1c(cc3)c1c(cc(cc1C)C)C)n1[n]2c(cc1)c1c(cc(cc1C)C)C)[NH2]C(c1ccccc1)c1ccccc1.ClCCl
• 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: 18.5242 ± 0.001 Å
• b: 14.3774 ± 0.0009 Å
• c: 36.4 ± 0.002 Å
• α: 90°
• β: 97.093 ± 0.003°
• γ: 90°
• Cell volume: 9620.2 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.13
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.27
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No