Information card for entry 4501502

Structure parameters

• Formula: C66 H62 N8 O26 Pr2
• Calculated formula: C66 H62 N8 O26 Pr2
• SMILES: [nH]1c(=O)cc(C2=[O][Pr]3456([O]=C(c7cc(=O)[nH]c8c7cccc8)[O]4[Pr]47(O2)([O]5C(c2cc(=O)[nH]c5c2cccc5)=[O]4)([O]=C(O7)c2cc(=O)[nH]c4c2cccc4)([O]=C(O6)c2cc(=O)[nH]c4c2cccc4)([OH2])[OH2])([O]=C(O3)c2cc(=O)[nH]c3c2cccc3)([OH2])[OH2])c2c1cccc2.C(=O)N(C)C.O.N(C=O)(C)C.O
• Title of publication: Structures and Photoluminescent Properties of the Lanthanide Coordination Complexes with Hydroxyquinoline Carboxylate Ligands
• Authors of publication: Feng, Rui; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Yan, Chun-Feng; Hong, Mao-Chun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2306
• a: 11.3823 ± 0.0013 Å
• b: 12.0883 ± 0.001 Å
• c: 13.1848 ± 0.0013 Å
• α: 94.054 ± 0.002°
• β: 112.888 ± 0.004°
• γ: 97.006 ± 0.004°
• Cell volume: 1644.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No