Information card for entry 4089666

Structure parameters

• Formula: C22 H32 Cl2 N4 O4 Rh
• Calculated formula: C22 H32 Cl2 N4 O4 Rh
• SMILES: C1(N2C(=C3N1C(CO3)(C)C)OCC2(C)C)=[Rh](Cl)(=C1N2C(=C3N1C(CO3)(C)C)OCC2(C)C)Cl
• 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: 10.18863 ± 0.00019 Å
• b: 11.35819 ± 0.00019 Å
• c: 10.8548 ± 0.0002 Å
• α: 90°
• β: 99.6169 ± 0.0018°
• γ: 90°
• Cell volume: 1238.51 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0212
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No