Information card for entry 7710475

Structure parameters

• Formula: C23 H32 Cl Co N2 P
• Calculated formula: C23 H32 Cl Co N2 P
• SMILES: [Co]12(Cl)[P](CCN1c1cccc3ccc[n]2c13)(C1CCCCC1)C1CCCCC1
• Title of publication: Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength
• Authors of publication: Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 6.9916 ± 0.0009 Å
• b: 9.4534 ± 0.001 Å
• c: 16.8751 ± 0.0019 Å
• α: 90°
• β: 98.836 ± 0.009°
• γ: 90°
• Cell volume: 1102.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No