Information card for entry 4325499

Structure parameters

• Formula: C19 H22 N5 O14 Sm Zn
• Calculated formula: C19 H20 N5 O14 Sm Zn
• SMILES: C[O]1c2cccc3c2[O]2[Sm]45671([O]=N(O5)=O)([O]=N(O7)=O)([O]1c5c(C=[N]6CCC[N](=C3)[Zn]216[OH2])cccc5[O]4C)ON(=[O]6)=O
• Title of publication: Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes
• Authors of publication: Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5879 - 5889
• a: 8.9838 ± 0.0003 Å
• b: 29.4974 ± 0.0013 Å
• c: 10.1127 ± 0.0004 Å
• α: 90°
• β: 103.122 ± 0.003°
• γ: 90°
• Cell volume: 2609.88 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No