Information card for entry 7056176

Structure parameters

• Formula: C19 H23 Cl F6 N4 P Rh
• Calculated formula: C19 H23 Cl F6 N4 P Rh
• SMILES: c1cccc2c3ccnc([n]3[Rh]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)([n]12)Cl)N.[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: 8.2257 ± 0.0003 Å
• b: 11.4475 ± 0.0004 Å
• c: 12.6623 ± 0.0004 Å
• α: 102 ± 0.003°
• β: 93.609 ± 0.003°
• γ: 105.079 ± 0.003°
• Cell volume: 1117.44 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No