Information card for entry 7041350

Structure parameters

• Formula: C22 H22 Cl2 Li2 N4 O2 P2
• Calculated formula: C22 H22 Cl2 Li2 N4 O2 P2
• SMILES: [Li]12([n]3c(cccc3)P(OC)c3[n]1cccc3)[Cl][Li]1([n]3c(cccc3)P(OC)c3[n]1cccc3)[Cl]2
• 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: 9.658 ± 0.0003 Å
• b: 13.2919 ± 0.0004 Å
• c: 10.1121 ± 0.0003 Å
• α: 90°
• β: 98.764 ± 0.001°
• γ: 90°
• Cell volume: 1282.97 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No