Information card for entry 1565196

Structure parameters

• Formula: C26 H18 Cl2 Cu N2
• Calculated formula: C26 H18 Cl2 Cu N2
• SMILES: c1c2ccccc2c2ccccc2[n]1[Cu](Cl)([n]1cc2ccccc2c2ccccc12)Cl
• 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: 4.6605 ± 0.0005 Å
• b: 14.435 ± 0.002 Å
• c: 15.6732 ± 0.0016 Å
• α: 90°
• β: 94.587 ± 0.009°
• γ: 90°
• Cell volume: 1051 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.711
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No