Information card for entry 7039212

Structure parameters

• Formula: C57 H47 B Cl F24 N5 Ni
• Calculated formula: C57 H47 B Cl F24 N5 Ni
• Title of publication: Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles.
• Authors of publication: Andrew, Rhiann E.; Storey, Caroline M.; Chaplin, Adrian B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8937 - 8944
• a: 9.799 ± 0.0004 Å
• b: 14.7487 ± 0.0006 Å
• c: 21.7093 ± 0.0012 Å
• α: 101.223 ± 0.004°
• β: 99.989 ± 0.004°
• γ: 101.393 ± 0.003°
• Cell volume: 2942.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No