Information card for entry 4308092

Structure parameters

• Formula: C43 H81 Mo6 N3 O18
• Calculated formula: C43 H81 Mo6 N3 O18
• SMILES: [Mo]1234(=Nc5c(ccc6ccccc56)C)[O]5678[Mo]9%10(=O)(O2)O[Mo]2%118(=O)O[Mo]5(=O)(O4)(O%10)O[Mo]7(=O)(O3)(O[Mo]6(=O)(O1)(O9)O2)O%11.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Naphthylimido-Substituted Hexamolybdate: Preparation, Crystal Structures, Solvent Effects, and Optical Properties of Three Polymorphs
• Authors of publication: Jian Hao; Laurent Ruhlmann; Yulin Zhu; Qiang Li; Yongge Wei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4960 - 4967
• a: 11.48 ± 0.002 Å
• b: 12.391 ± 0.003 Å
• c: 21.288 ± 0.004 Å
• α: 76.6 ± 0.03°
• β: 77.37 ± 0.03°
• γ: 89.91 ± 0.03°
• Cell volume: 2870.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No