Information card for entry 4350705

Structure parameters

• Formula: C58 H47 B F24 N5 O Rh
• Calculated formula: C58 H47 B F24 N5 O Rh
• Title of publication: Synthesis and reactivity of NHC-based rhodium macrocycles.
• Authors of publication: Andrew, Rhiann E.; Chaplin, Adrian B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 312 - 322
• a: 9.3661 ± 0.0003 Å
• b: 18.7809 ± 0.0006 Å
• c: 19.386 ± 0.0006 Å
• α: 116.409 ± 0.003°
• β: 94.878 ± 0.003°
• γ: 92.986 ± 0.003°
• Cell volume: 3027.65 ± 0.19 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: 0.0681
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No