Information card for entry 7006745

Structure parameters

• Formula: C36 H54 Li2 N4 O2
• Calculated formula: C36 H54 Li2 N4 O2
• SMILES: [Li]1([O]2CCCC2)[N]2[C@@H]3CCCC[C@H]3[N](=C([N]1c1ccccc1)C(C)(C)C)[Li]([N](=C2C(C)(C)C)c1ccccc1)[O]1CCCC1.[Li]1([O]2CCCC2)[N]2[C@H]3CCCC[C@@H]3[N](=C([N]1c1ccccc1)C(C)(C)C)[Li]([N](=C2C(C)(C)C)c1ccccc1)[O]1CCCC1
• Title of publication: Racemic N-aryl bis(amidines) and bis(amidinates): on the trail of enantioselective organolanthanide catalysts.
• Authors of publication: Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 12
• Pages of publication: 1544 - 1553
• a: 17.8471 ± 0.0009 Å
• b: 11.3986 ± 0.0006 Å
• c: 17.6595 ± 0.001 Å
• α: 90°
• β: 93.964 ± 0.003°
• γ: 90°
• Cell volume: 3583.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No