Information card for entry 7017899

Structure parameters

• Formula: C40 H44 Cu2 N2 O4
• Calculated formula: C40 H44 Cu2 N2 O4
• SMILES: [Cu]12[N](=Cc3c([Cu]2[N](=Cc2c1c1OCOc1cc2)c1c(cccc1C(C)C)C(C)C)c1OCOc1cc3)c1c(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: 8.4951 ± 0.0017 Å
• b: 12.599 ± 0.003 Å
• c: 17.341 ± 0.004 Å
• α: 92.75 ± 0.03°
• β: 90.63 ± 0.03°
• γ: 107.11 ± 0.03°
• Cell volume: 1771.2 ± 0.7 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2161
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No