Information card for entry 7111039

Structure parameters

• Formula: C40 H79 Mo6 N3 O18
• Calculated formula: C40 H79 Mo6 N3 O18
• SMILES: [Mo]1234(=Nc5ccc(cc5)C=C)[O]5678[Mo]9%10(=O)(O1)O[Mo]1%117(=O)O[Mo]5(=O)(O2)(O[Mo]6(=O)(O3)(O9)O1)O[Mo]8(=O)(O4)(O%10)O%11.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Organoimido-polyoxometalates as polymer pendants
• Authors of publication: Moore, Aaron R.; Kwen, Haidoo; Beatty, Alicia M.; Maatta, Eric A.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 1793
• a: 17.316 ± 0.002 Å
• b: 15.6017 ± 0.0017 Å
• c: 20.774 ± 0.002 Å
• α: 90°
• β: 105.098 ± 0.009°
• γ: 90°
• Cell volume: 5418.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No