Information card for entry 7035030

Structure parameters

• Formula: C124 Cl12 Cu N7 O70 Si2 W18
• Calculated formula: C124 Cl12 Cu N7 O70 Si2 W18
• SMILES: O1[W]234(=O)O[W]567(O[Cu]891([O]36[Si]13[O]6%10[W]%11%12(O4)(O[W]4(=O)(O2)(=O)O[W]2(=O)(=O)(O[W]%13%14(=O)(=O)O[W](O5)(O[W]6(O7)(O%11)(O[W]%10(O%12)(=O)(O%14)O2)=O)(=O)(=O)[O]1%13)[O]34)=O)O[W]123(=O)O[W]45(O8)(=O)O[W]67(=O)(=O)O[W]8%10(=O)(=O)O[W]%11%12(=O)(=O)O[W]%13(=O)(=O)(O1)[O]%11[Si]([O]924)([O]68)[O]12[W]4(O3)(O%13)(O[W]1(O5)(O7)(O[W]2(O%10)(O%12)(O4)=O)=O)=O)=O.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C([N+](CCCC)(CCCC)CCCC)CCC.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.
• Authors of publication: Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14220 - 14226
• a: 14.6256 ± 0.0001 Å
• b: 18.7678 ± 0.0002 Å
• c: 19.123 ± 0.0002 Å
• α: 107.21 ± 0.0005°
• β: 92.3267 ± 0.0005°
• γ: 98.2091 ± 0.0006°
• Cell volume: 4943.6 ± 0.08 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: 0.0636
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No