Information card for entry 7056175

Structure parameters

• Formula: C20 H23 Cl F6 N2 P Rh
• Calculated formula: C20 H23 Cl F6 N2 P Rh
• SMILES: c1[n]2[Rh]3456([c]7([c]3([c]4([c]6([c]57C)C)C)C)C)([n]3ccccc3c2ccc1)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands
• Authors of publication: Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 6995 - 7006
• a: 12.9323 ± 0.0003 Å
• b: 8.1971 ± 0.0002 Å
• c: 10.4445 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1107.19 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No