Information card for entry 4089660

Structure parameters

• Formula: C18 H24 Cl N2 O2 Rh
• Calculated formula: C18 H24 Cl N2 O2 Rh
• SMILES: [Rh]123(Cl)(=C4N5C(OCC5(C)C)=C5OCC(N45)(C)C)[CH]4=[CH]1C1[CH]2=[CH]3C4C1
• 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: 8.867 ± 0.0004 Å
• b: 17.2094 ± 0.0006 Å
• c: 23.0269 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3513.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No