Information card for entry 4089658

Structure parameters

• Formula: C33 H48 Cl N6 O6 Rh
• Calculated formula: C33 H48 Cl N6 O6 Rh
• SMILES: [Rh](Cl)(=C1N2C(OCC2(C)C)=C2OCC(N12)(C)C)(=C1N2C(OCC2(C)C)=C2OCC(N12)(C)C)=C1N2C(OCC2(C)C)=C2OCC(N12)(C)C
• Title of publication: Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes
• Authors of publication: Chaplin, Adrian B.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3069
• a: 11.5989 ± 0.0004 Å
• b: 17.8176 ± 0.0007 Å
• c: 16.7145 ± 0.0006 Å
• α: 90°
• β: 100.135 ± 0.004°
• γ: 90°
• Cell volume: 3400.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No