Information card for entry 1565197

Structure parameters

• Formula: C34 H30 Cu2 N2 O8
• Calculated formula: C34 H30 Cu2 N2 O8
• SMILES: c1c2ccccc2c2ccccc2[n]1[Cu]1234[O]=C(C)O[Cu]4([n]4cc5ccccc5c5ccccc45)([O]=C(O1)C)(OC(=[O]3)C)[O]=C(O2)C
• Title of publication: Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand
• Authors of publication: Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119553
• a: 8.0377 ± 0.0013 Å
• b: 8.8133 ± 0.0014 Å
• c: 11.8435 ± 0.0016 Å
• α: 75.611 ± 0.012°
• β: 73.896 ± 0.012°
• γ: 83.263 ± 0.013°
• Cell volume: 779.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1513
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No