Information card for entry 2225820

Structure parameters

• Chemical name: bis[4,4'-(propane-1,3-diyl)dipiperidinium] β-octamolybdate(VI)
• Formula: C26 H56 Mo8 N4 O26
• Calculated formula: C26 H56 Mo8 N4 O26
• SMILES: C1(CC[NH2+]CC1)CCCC1CC[NH2+]CC1.[O]12[Mo]345([O]67[Mo]81(=O)(O[Mo]1(=O)(O[Mo]9%106([O]8[Mo]62(O[Mo](O3)(O[Mo]2([O]%10[Mo]7([O]42)(O1)(=O)=O)([O]596)(=O)=O)(=O)=O)(=O)=O)=O)=O)=O)=O.C1(CC[NH2+]CC1)CCCC1CC[NH2+]CC1
• Title of publication: Bis[4,4'-(propane-1,3-diyl)dipiperidinium] β-octamolybdate(VI)
• Authors of publication: Driss, Mohamed; Ksiksi, Rekaya; Ben Amor, Fatma; Zid, Mohamed Faouzi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m533 - m534
• a: 23.975 ± 0.005 Å
• b: 13.935 ± 0.004 Å
• c: 13.647 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4559 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes