Information card for entry 2209198

Structure parameters

• Chemical name: poly[bis(4-aminopyridinium) decaoxotrimolybdenum]
• Formula: C10 H14 Mo3 N4 O10
• Calculated formula: C10 H14 Mo3 N4 O10
• SMILES: [Mo]123(=O)(=O)O[Mo]456([O]2[Mo]2([O]1[Mo]17([O]2[Mo]28(=O)(=O)O[Mo]9%10([O]12)(O[Mo]1(O[Mo]2(=O)(=O)O[Mo](O9)([O]12)(=O)=O)([O]8%10)(O7)=O)=O)(=O)=O)(=O)(=O)O[Mo]1(O4)(O[Mo]2(=O)(=O)O[Mo](O5)([O]12)(=O)=O)([O]36)=O)=O.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1
• Title of publication: Poly[bis(4-aminopyridinium) decaoxotrimolybdate(VI)]
• Authors of publication: Nelson, James R.; Narducci Sarjeant, Amy; Norquist, Alexander J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1448 - m1450
• a: 8.045 ± 0.003 Å
• b: 10.376 ± 0.005 Å
• c: 11.538 ± 0.004 Å
• α: 65.05 ± 0.04°
• β: 89.94 ± 0.03°
• γ: 72.91 ± 0.03°
• Cell volume: 826.3 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 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: 0.0367
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for all reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8565
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No