Information card for entry 1562496

Structure parameters

• Formula: C26 H32 Mo12 N7 O44 P
• Calculated formula: C26 H31 Mo12 N7 O44 P
• SMILES: [Mo]1234([O]56[Mo]78(O4)(O[Mo]49%10([O]%11%12[Mo]%13%14(O[Mo]%15%16%17([O]%18%19[Mo](O1)(O[Mo]%11(O3)(O%14)(O9)=O)(O[Mo]1%18(O[Mo]5(O2)(O8)(O[Mo]23([O]5([Mo](O%10)(=O)(O[Mo]5(O%13)(O%17)(=O)O3)(O2)O7)=P6%12%19)(O1)=O)=O)(=O)O%16)(O%15)=O)=O)(O4)=O)=O)=O)=O.[nH]1c2ccccc2[nH+]c1c1cnccc1.[nH]1c2ccccc2[nH+]c1c1cnccc1.O.O.O.O.N#CC
• Title of publication: Two proton-conductive hybrids based on 2-(3-pyridyl)benzimidazole molecules and Keggin-type heteropolyacids
• Authors of publication: Wei, Mei-Lin; Wang, Yu-Xia; Wang, Xin-Jun
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 209
• Pages of publication: 29 - 36
• a: 17.25 ± 0.003 Å
• b: 12.766 ± 0.002 Å
• c: 25.95 ± 0.005 Å
• α: 90°
• β: 100.68 ± 0.006°
• γ: 90°
• Cell volume: 5615.6 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1149
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No