Information card for entry 4067962

Structure parameters

• Formula: C17 H17 Cl2 N2 Rh
• Calculated formula: C17 H17 Cl2 N2 Rh
• SMILES: [Rh]12345(Cl)([n]6cccc7nccc(c67)[c]61[c]2([c]3([c]4([c]56C)C)C)C)Cl
• 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: 11.733 ± 0.005 Å
• b: 18.595 ± 0.008 Å
• c: 7.615 ± 0.004 Å
• α: 90°
• β: 107.497 ± 0.01°
• γ: 90°
• Cell volume: 1584.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No