Information card for entry 1571123

Structure parameters

• Formula: C32 H20 N2 O4 Se
• Calculated formula: C32 H20 N2 O4 Se
• SMILES: c1(c(cccc1)/C=C1/C(=O)OC(=N1)c1ccccc1)[Se]c1c(cccc1)/C=C1/C(=O)OC(=N1)c1ccccc1
• Title of publication: Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.
• Authors of publication: Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2024
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 792
• a: 13.7518 ± 0.0006 Å
• b: 19.5095 ± 0.001 Å
• c: 4.7253 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1267.75 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No