Information card for entry 4350708

Structure parameters

• Formula: C57 H46 B F24 I N5 O Rh
• Calculated formula: C57 H46 B F24 I 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: 14.26866 ± 0.00015 Å
• b: 17.1057 ± 0.0002 Å
• c: 24.6768 ± 0.0003 Å
• α: 90°
• β: 94.4576 ± 0.001°
• γ: 90°
• Cell volume: 6004.78 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No