Information card for entry 4325498

Structure parameters

• Formula: C19 H22 N5 O14 Pr Zn
• Calculated formula: C19 H22 N5 O14 Pr Zn
• SMILES: [N]12=Cc3cccc4[O](C)[Pr]56789([O](c34)[Zn]32([N](CCC1)=Cc1cccc([O]6C)c1[O]53)[OH2])(ON(=[O]7)=O)(ON(=[O]8)=O)ON(=[O]9)=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: 8.8636 ± 0.0003 Å
• b: 28.9754 ± 0.0007 Å
• c: 10.1774 ± 0.0004 Å
• α: 90°
• β: 102.853 ± 0.004°
• γ: 90°
• Cell volume: 2548.33 ± 0.15 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0322
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0216
• Weighted residual factors for all reflections included in the refinement: 0.0213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1648
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No