Information card for entry 1560083

Structure parameters

• Formula: C108 H98 Mn4 Mo9 N3 O43 P5
• Calculated formula: C108 H98 Mn4 Mo9 N3 O43 P5
• SMILES: P123=[O]45[Mn]6789[O]=C(O[Mn]%10%11%12%13[O]=C(O[Mn]%14%154([O]6%11)[O]%12[Mn]45([O]=C(O%10)C)([O]7%13)O[Mo]567(O[Mo]%10%11(O%15)(O[Mo]%12%13(O%14)(O[Mo]%14%15(O9)(=O)O[Mo]9%16(O8)(O[Mo]8(O4)(O5)(=O)[O]39[Mo]3(O8)(O%16)(O[Mo]([O]26%10)(O%11)(O7)(O[Mo]([O]1%12%14)(O%15)(O%13)(=O)O3)=O)=O)=O)=O)=O)=O)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC.N#CC
• Title of publication: A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters
• Authors of publication: Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1240 - 1244
• a: 16.1432 ± 0.0003 Å
• b: 18.3888 ± 0.0004 Å
• c: 24.571 ± 0.0006 Å
• α: 94.772 ± 0.002°
• β: 109.004 ± 0.002°
• γ: 106.661 ± 0.002°
• Cell volume: 6480.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1362
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2306
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No