Information card for entry 7019915

Structure parameters

• Formula: C18 H50 Mo8 N5 Na O28
• Calculated formula: C16 H38 Mo8 N4.7 Na O28
• SMILES: CN(C)C=O.C[N+](C)(C)C.C[N+](C)(C)C.O=CN(C)C.O1[Mo]23(=O)(=O)O[Mo]456([O]7[Mo]89([O]%10[Mo]17(=O)(=O)[O]135[Mo]3(=O)(=O)(O2)[O]2[Mo]5(=O)(=O)(O[Mo]7(O[Mo]%1012(=O)[O]6957)(=O)(=O)O8)[O]43)(=O)=O)=O.[Na+].C[N+](C)(C)C
• 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: 9.4649 ± 0.0004 Å
• b: 20.3666 ± 0.0008 Å
• c: 11.6803 ± 0.0004 Å
• α: 90°
• β: 93.236 ± 0.003°
• γ: 90°
• Cell volume: 2248 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.2541
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No