Information card for entry 4337453

Structure parameters

• Formula: C20 H16 Mo14 N4 O44 Si
• Calculated formula: C20 H16 Mo14 N4 O44 Si
• SMILES: O1[Mo]234(O[Mo]567([O]89[Mo]%10%11%12([O]7[Mo]7%13([O]5[Mo]5%141(O[Mo]1%15%16(O[Mo]%17%18%19([O]%20[Mo]%21(=O)(O1)([O]13[Mo]3%22(=O)(O2)[O]2[Mo]%20([O]%19[Mo]%192(O[Mo]8(O6)(O%12)(O%22)=O)([O]2%17[Mo](O%18)(O%19)(O%10)(O[Mo](O%15)([O]5%16[Si]912)([O]7%14)([O]%11%13)=O)=O)=O)([O]%213)(=O)=O)O4)=O)=O)=O)(=O)=O)=O)=O)=O.c1(c2ccncc2)ccncc1.c1(ccncc1)c1ccncc1
• Title of publication: Two-dimensional bicapped supramolecular hybrid semiconductor material constructed from the insulators α-Keggin polyoxomolybdate and 4,4'-bipyridine.
• Authors of publication: Iyer, Abishek K.; Peter, Sebastian C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 653 - 660
• a: 13.7874 ± 0.0003 Å
• b: 18.6536 ± 0.0004 Å
• c: 19.522 ± 0.0004 Å
• α: 90°
• β: 105.271 ± 0.001°
• γ: 90°
• Cell volume: 4843.48 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No