Information card for entry 7041354

Structure parameters

• Formula: C24 H30 Cl2 Cu2 N4 O4 P2
• Calculated formula: C24 H30 Cl2 Cu2 N4 O4 P2
• SMILES: [n]12c([P]3(OC)c4[n](cccc4)[Cu]2(Cl)[P]2(OC)c4[n](cccc4)[Cu]3([n]3c2cccc3)Cl)cccc1.OC.CO
• 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: 8.9283 ± 0.0005 Å
• b: 9.4929 ± 0.0006 Å
• c: 9.5208 ± 0.0006 Å
• α: 108.092 ± 0.003°
• β: 109.909 ± 0.002°
• γ: 91.05 ± 0.003°
• Cell volume: 714.22 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No