Information card for entry 7017900

Structure parameters

• Formula: C44 H54 Cu Li N2 O5
• Calculated formula: C44 H54 Cu Li N2 O5
• SMILES: [Cu]123c4c6c(OC[O]6[Li]2([N](=Cc2c3c3OCOc3cc2)c2c(cccc2C(C)C)C(C)C)[O](CC)CC)ccc4C=[N]1c1c(cccc1C(C)C)C(C)C
• Title of publication: Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.
• Authors of publication: Beck, John F.; Schmidt, Joseph A. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 860 - 870
• a: 10.7 ± 0.002 Å
• b: 30.09 ± 0.006 Å
• c: 13.07 ± 0.003 Å
• α: 90°
• β: 97.3 ± 0.03°
• γ: 90°
• Cell volume: 4173.9 ± 1.5 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 6
• 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: 0.1171
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No