Information card for entry 7005555

Structure parameters

• Formula: C42 H52 Li2 N4 O2
• Calculated formula: C42 H52 Li2 N4 O2
• SMILES: C12C=CC=CC=C1[N]13[C@H]([C@H](c4ccccc4)[N]4(C5C(C=CC=CC=5)=[N](C(C)C)[Li]34[O]3CCCC3)[Li]1([N]=2C(C)C)[O]1CCCC1)c1ccccc1
• Title of publication: Chiral bridged aminotroponiminate complexes of the lanthanides.
• Authors of publication: Meyer, Nils; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2652 - 2657
• a: 9.581 ± 0.003 Å
• b: 10.365 ± 0.003 Å
• c: 38.296 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3803 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No