Information card for entry 4067963

Structure parameters

• Formula: C19 H14 Cl3 N2 O Rh
• Calculated formula: C19 H14 Cl3 N2 O Rh
• SMILES: [Rh]12(Cl)([n]3cccc4nccc(c34)[C]31=[CH]2Cc1ccccc31)C#[O].ClCCl
• Title of publication: Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit
• Authors of publication: Sieb, David; Schuhen, Katrin; Morgen, Michael; Herrmann, Heike; Wadepohl, Hubert; Lucas, Nigel T.; Baker, Robert W.; Enders, Markus
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 356
• a: 7.1389 ± 0.0008 Å
• b: 7.9099 ± 0.0009 Å
• c: 16.69 ± 0.002 Å
• α: 102.821 ± 0.002°
• β: 93.491 ± 0.002°
• γ: 94.109 ± 0.002°
• Cell volume: 913.73 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No