Information card for entry 7039229

Structure parameters

• Formula: C19 H32 I N2 Rh
• Calculated formula: C19 H32 I N2 Rh
• SMILES: I[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• 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: 10.94671 ± 0.00013 Å
• b: 13.02535 ± 0.00013 Å
• c: 14.51455 ± 0.00015 Å
• α: 90°
• β: 96.9118 ± 0.001°
• γ: 90°
• Cell volume: 2054.51 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0227
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No