Information card for entry 2211123

Structure parameters

• Common name: Bis-[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4-) dihydrate
• Chemical name: Bis[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4-) dihydrate
• Formula: C30 H32 Ge Mo12 N6 O42
• Calculated formula: C30 H32 Ge Mo12 N6 O42
• SMILES: c1cc(cc[nH+]1)c1ccncc1.[Ge]123[O]45[Mo]678(O[Mo]9%104(O[Mo]4%11%12([O]%132[Mo]2%14(O[Mo]%13(O7)(O[Mo]7%13([O]%151[Mo]1%16(O[Mo]%17%18(O[Mo]%19(O%10)([O]3%17[Mo](O[Mo]%15(O7)(O1)(=O)O%14)(O%18)(O2)(O%19)=O)(O%11)=O)(O[Mo]5(O9)(=O)(O6)O%16)=O)(O%13)=O)(=O)O8)(O4)=O)(O%12)=O)=O)=O)=O.[nH+]1ccc(c2cc[nH+]cc2)cc1.O.c1cc(cc[nH+]1)c1ccncc1.O
• Title of publication: Bis[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4{-}) dihydrate
• Authors of publication: De-Wu Sun; Hong-Ju Zhai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2937 - m2939
• a: 15.214 ± 0.002 Å
• b: 18.215 ± 0.003 Å
• c: 21.231 ± 0.003 Å
• α: 90°
• β: 103.37 ± 0.003°
• γ: 90°
• Cell volume: 5724.1 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes