Information card for entry 4089659

Structure parameters

• Formula: C13 H16 Cl N2 O4 Rh
• Calculated formula: C13 H16 Cl N2 O4 Rh
• SMILES: [Rh](Cl)(C#[O])(C#[O])=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: 25.3855 ± 0.0016 Å
• b: 9.5589 ± 0.0006 Å
• c: 12.9231 ± 0.0008 Å
• α: 90°
• β: 95.332 ± 0.006°
• γ: 90°
• Cell volume: 3122.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No