Information card for entry 7056173

Structure parameters

• Formula: C19 H23 Cl Co F6 N4 P
• Calculated formula: C19 H23 Cl Co F6 N4 P
• SMILES: c1cccc2c3ccnc([n]3[Co]3456([c]7([c]6([c]5([c]4([c]37C)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: 8.2836 ± 0.0005 Å
• b: 11.4551 ± 0.0009 Å
• c: 12.2705 ± 0.0007 Å
• α: 103.762 ± 0.006°
• β: 93.088 ± 0.005°
• γ: 104.169 ± 0.006°
• Cell volume: 1088.71 ± 0.13 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: 0.0464
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No