Information card for entry 4308090

Structure parameters

• Formula: C43 H81 Mo6 N3 O18
• Calculated formula: C43 H81 Mo6 N3 O18
• SMILES: [Mo]1234(O[Mo]567([O]89%101[Mo]1(=O)(O3)(O[Mo]38(=O)(O7)O[Mo]9(=O)(O2)(O1)O[Mo]%10(=O)(O4)(O5)O3)O6)=O)=Nc1c(ccc2ccccc12)C.[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: 13.005 ± 0.003 Å
• b: 22.68 ± 0.005 Å
• c: 19.89 ± 0.004 Å
• α: 90°
• β: 104.57 ± 0.03°
• γ: 90°
• Cell volume: 5678 ± 2 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 5
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No