Information card for entry 2021248

Structure parameters

• Formula: C88 H147 Mn Mo6 N6 O24
• Calculated formula: C88 H147 Mn Mo6 N6 O24
• SMILES: C1[O]23[Mo]45(=O)(O[Mo]67(=O)(O[Mo]89([O]%106CC1(C[O]16[Mn]%11%122%10[O]29CC(C[O]9%12[Mo]6(O[Mo]12(=O)(=O)O8)(=O)(O[Mo]39(O4)(=O)=O)=O)(C[O]57%11)NCc1c2ccccc2cc2ccccc12)NCc1c2ccccc2cc2ccccc12)(=O)=O)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC
• Title of publication: Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates
• Authors of publication: Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 15.2871 ± 0.0002 Å
• b: 25.654 ± 0.0003 Å
• c: 24.9018 ± 0.0004 Å
• α: 90°
• β: 90.321 ± 0.001°
• γ: 90°
• Cell volume: 9765.7 ± 0.2 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.616
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No