Information card for entry 4350709

Structure parameters

• Formula: C56.5 H44 B Cl3 F24 N5 O Rh
• Calculated formula: C56.5 H44 B Cl3 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: 12.733 ± 0.0004 Å
• b: 15.5875 ± 0.0004 Å
• c: 17.0556 ± 0.0005 Å
• α: 100.337 ± 0.002°
• β: 97.165 ± 0.002°
• γ: 113.343 ± 0.003°
• Cell volume: 2984.88 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No