Information card for entry 7033550

Structure parameters

• Formula: C29 H45 Cl Ni P2
• Calculated formula: C29 H45 Cl Ni P2
• Title of publication: Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.
• Authors of publication: Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12082 - 12085
• a: 18.505 ± 0.0006 Å
• b: 16.1911 ± 0.0004 Å
• c: 23.0219 ± 0.0005 Å
• α: 90°
• β: 124.093 ± 0.002°
• γ: 90°
• Cell volume: 5712.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No