Information card for entry 7017901

Structure parameters

• Formula: C64 H64 Cu2 I2 N2 O4 P2
• Calculated formula: C64 H64 Cu2 I2 N2 O4 P2
• SMILES: c12c3c(ccc1C=[N](c1c(cccc1C(C)C)C(C)C)[Cu]1([I][Cu]4([I]1)[N](=Cc1c(c5c(cc1)OCO5)[P]4(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[P]2(c1ccccc1)c1ccccc1)OCO3
• 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: 26.4506 ± 0.0003 Å
• b: 26.4506 ± 0.0003 Å
• c: 24.4412 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14808.9 ± 0.5 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No