Information card for entry 1543845

Structure parameters

• Formula: C60 H116 Mo8 N8 O26
• Calculated formula: C60 H116 Mo8 N8 O26
• SMILES: [Mo]123(=O)(O[Mo]4(=O)[O]5[Mo]67(=O)(O[Mo](O[Mo](O1)(=O)([O]3[Mo](O6)(=O)O[Mo]5(O7)(=O)(=O)O[Mo](O2)(=O)=O)(O4)=O)(=O)=O)=O)=O.n1(cc[nH+]c1)CCCCCCCCCCCC.n1(c[nH+]cc1)CCCCCCCCCCCC.n1(c[nH+]cc1)CCCCCCCCCCCC.n1(c[nH+]cc1)CCCCCCCCCCCC
• Title of publication: Conductive Hybrid Crystal Composed from Polyoxomolybdate and Deprotonatable Ionic-Liquid Surfactant.
• Authors of publication: Kobayashi, Jun; Kawahara, Ryosuke; Uchida, Sayaka; Koguchi, Shinichi; Ito, Takeru
• Journal of publication: International journal of molecular sciences
• Year of publication: 2016
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 994
• a: 21.859 ± 0.004 Å
• b: 10.0395 ± 0.0018 Å
• c: 20.683 ± 0.004 Å
• α: 90°
• β: 114.307 ± 0.002°
• γ: 90°
• Cell volume: 4136.6 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0579
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No