Information card for entry 1508452

Structure parameters

• Formula: C84 H152 N4 O32 W10
• Calculated formula: C84 H152 N4 O32 W10
• SMILES: [W]1234(=O)O[W]567(O[W]89(O3)(O[W]3%10(O2)([O]458[W](O1)(O6)(=O)(O3)O[W]123(O[W]456(=O)O[W]8(=O)(O[W]%11(O4)(=O)(O[W](O5)(=O)(O1)([O]368%11)O7)O9)(O2)O%10)=O)=O)=O)=O.[n+]1(ccccc1)CCCCCCCCCCCCCCCC.[n+]1(ccccc1)CCCCCCCCCCCCCCCC.[n+]1(ccccc1)CCCCCCCCCCCCCCCC.[n+]1(ccccc1)CCCCCCCCCCCCCCCC
• Title of publication: Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid
• Authors of publication: Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 362 - 373
• a: 10.7727 ± 0.0012 Å
• b: 11.3734 ± 0.0012 Å
• c: 23.982 ± 0.003 Å
• α: 98.566 ± 0.004°
• β: 95.298 ± 0.004°
• γ: 116.168 ± 0.004°
• Cell volume: 2566.1 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No