Information card for entry 7041357

Structure parameters

• Formula: C30 H54 Cu2 F12 N8 P4
• Calculated formula: C30 H54 Cu2 F12 N8 P4
• SMILES: [P](F)(F)(F)(F)(F)[F-].[n]12c([P@@]3(N(CC)CC)[N]([Cu]2([N]#CC)[P@@]2(N(CC)CC)[N]([Cu]3([n]3c2cccc3)[N]#CC)(CC)CC)(CC)CC)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.
• Authors of publication: Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 814 - 824
• a: 11.0995 ± 0.0005 Å
• b: 9.0222 ± 0.0005 Å
• c: 21.4868 ± 0.001 Å
• α: 90°
• β: 94.122 ± 0.002°
• γ: 90°
• Cell volume: 2146.16 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No