Information card for entry 4350710

Structure parameters

• Formula: C28 H36 N5 O Rh
• Calculated formula: C28 H36 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: 19.2242 ± 0.0002 Å
• b: 19.2242 ± 0.0002 Å
• c: 37.5121 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12006 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No