Information card for entry 7019911

Structure parameters

• Formula: C20 H52 Mn Mo6 N6 Na3 O32
• Calculated formula: C20 H52.02 Mn Mo6 N6 Na3 O32
• SMILES: [Mo]123(O[Mo]45([O]67[Mn]89%10%11[O]%121[Mo]1(O2)(=O)(=O)O[Mo]2%13([O]8(CC(C%12)(C6)[NH3+])[Mo]6(O2)(=O)(=O)[O]9([Mo]7(O6)(=O)(=O)O4)CC(C[O]35%11)(C[O]%101%13)[NH3+])(=O)=O)(=O)=O)(=O)=O.[Na+].[Na+].O=CN(C)C.O=CN(C)C.O.O.[Na+].O=CN(C)C.O=CN(C)C.O.O
• Title of publication: Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.
• Authors of publication: Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 10071 - 10079
• a: 8.6386 ± 0.0004 Å
• b: 10.0132 ± 0.0005 Å
• c: 14.3392 ± 0.0008 Å
• α: 109.102 ± 0.002°
• β: 92.59 ± 0.002°
• γ: 93.587 ± 0.002°
• Cell volume: 1166.91 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No