Information card for entry 7704743

Structure parameters

• Formula: C34 H25 La N6 O8
• Calculated formula: C34 H25 La N6 O8
• SMILES: [La]12345(OC(=CC(=[O]1)c1ccccc1)C)(ON(=O)=[O]2)(ON(=O)=[O]3)([n]1cccc2c1c1[n]4cccc1cc2)[n]12c3c(ccc2)ccc2ccc[n]51c32
• Title of publication: Photo-physical, theoretical and photo-cytotoxic evaluation of a new class of lanthanide(iii)-curcumin/diketone complexes for PDT application.
• Authors of publication: Musib, Dulal; Pal, Mrityunjoy; Raza, Md Kausar; Roy, Mithun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 31
• Pages of publication: 10786 - 10798
• a: 11.4565 ± 0.0013 Å
• b: 13.0847 ± 0.0015 Å
• c: 21.324 ± 0.003 Å
• α: 90°
• β: 91.55 ± 0.004°
• γ: 90°
• Cell volume: 3195.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0751
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No