Information card for entry 7039228

Structure parameters

• Formula: C64 H80 I2 N4 O4 Rh2
• Calculated formula: C64 H80 I2 N4 O4 Rh2
• Title of publication: Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.
• Authors of publication: Patchett, Ruth; Chaplin, Adrian B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8945 - 8955
• a: 13.07898 ± 0.00015 Å
• b: 27.764 ± 0.0003 Å
• c: 17.30754 ± 0.00019 Å
• α: 90°
• β: 99.4834 ± 0.0011°
• γ: 90°
• Cell volume: 6198.91 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No