Information card for entry 7056174

Structure parameters

• Formula: C20 H25 Cl Co F6 N4 P
• Calculated formula: C20 H25 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)NC.[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: 8.3924 ± 0.0004 Å
• b: 11.5244 ± 0.0005 Å
• c: 13.1783 ± 0.0006 Å
• α: 109.543 ± 0.004°
• β: 92.325 ± 0.004°
• γ: 108.365 ± 0.004°
• Cell volume: 1124.68 ± 0.1 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: 0.0405
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No