Information card for entry 7224443

Structure parameters

• Formula: C20 H24 Cl3 N6 O3 Sm
• Calculated formula: C20 H24 Cl3 N6 O3 Sm
• SMILES: c1ccc2c3c(c4ccc[n]5c4c2[n]1[Sm]5(Cl)(Cl)(Cl)([O]=CN(C)C)([O]=CN(C)C)[OH2])nccn3
• Title of publication: Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity
• Authors of publication: Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4313
• a: 7.0536 ± 0.0019 Å
• b: 9.661 ± 0.003 Å
• c: 18.08 ± 0.005 Å
• α: 84.809 ± 0.005°
• β: 78.965 ± 0.005°
• γ: 80.563 ± 0.005°
• Cell volume: 1190.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No