Information card for entry 4313849

Structure parameters

• Formula: C52 H68 Ce2 Mo6 N16 O51
• Calculated formula: C52 H68 Ce2 Mo6 N16 O51
• SMILES: [Ce]123([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=C(c4cc(cc(c4)N(=O)=O)N(=O)=O)O[Ce]([O]=C(c4cc(cc(c4)N(=O)=O)N(=O)=O)O1)([O]=C(c1cc(N(=O)=O)cc(N(=O)=O)c1)O3)(OC(=[O]2)c1cc(N(=O)=O)cc(N(=O)=O)c1)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[O]12345[Mo]678(O[Mo]9%101(O[Mo]12(O6)(=O)O[Mo]24(O[Mo]3(O9)(O[Mo]5(O7)(O2)(=O)O%10)(O1)=O)(O8)=O)=O)=O
• Title of publication: Novel Polyoxometalate-Templated, 3-D Supramolecular Networks Based on Lanthanide Dimers: Synthesis, Structure, and Fluorescent Properties of [Ln2(DNBA)4(DMF)8][Mo6O19] (DNBA = 3,5-Dinitrobenzoate)
• Authors of publication: Xiuli Wang; Yaqin Guo; Yangguang Li; Enbo Wang; Changwen Hu; Ninghai Hu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4135 - 4140
• a: 13.2731 ± 0.0009 Å
• b: 13.873 ± 0.0007 Å
• c: 14.2067 ± 0.0006 Å
• α: 102.652 ± 0.002°
• β: 101.03 ± 0.002°
• γ: 115.683 ± 0.002°
• Cell volume: 2175 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No