Information card for entry 7041352

Structure parameters

• Formula: C40 H60 Cl6 Li6 N6 O4 P2
• Calculated formula: C40 H60 Cl6 Li6 N6 O4 P2
• SMILES: [Li]12([Cl]3[Li]4([Cl][Li]5([Cl]1[Li]1([O]6CCCC6)[Cl]5[Li]5([Cl]4[Li]3([Cl]1)[O]1CCCC1)[n]1c(P(N(C)C)c3[n]5cccc3)cccc1)[O]1CCCC1)[O]1CCCC1)[n]1c(P(N(C)C)c3[n]2cccc3)cccc1
• 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: 10.9913 ± 0.0003 Å
• b: 11.7487 ± 0.0003 Å
• c: 12.2632 ± 0.0004 Å
• α: 105.486 ± 0.0014°
• β: 99.1063 ± 0.0014°
• γ: 115.139 ± 0.0013°
• Cell volume: 1312.84 ± 0.07 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: 0.0625
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No