Information card for entry 4350706

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: 13.045 ± 0.001 Å
• b: 14.588 ± 0.0014 Å
• c: 17.4059 ± 0.0011 Å
• α: 104.723 ± 0.007°
• β: 105.186 ± 0.007°
• γ: 102.973 ± 0.008°
• Cell volume: 2937.6 ± 0.5 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: 0.1306
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No