Information card for entry 7035023

Structure parameters

• Formula: C118 Cl6 Mn5 N7 O70 Si2 W18
• Calculated formula: C118 Cl6 Mn5 N7 O70 Si2 W18
• SMILES: [W]1234([O]5[Mn]6789[O]%10[W]%11%12(=O)(O1)O[W]1%13%14(O[Mn]%15%16%17O[W]%18%19(=O)(O1)O[W]1%20%21(O[Mn]%22(O[W]%23(=O)(O1)(O2)[O]%20%22[Si]([O]36%11)([O]%13%15%18)[O]12[W]3(O4)(O%23)(O[W]1(O%12)(O%14)(O[W]2(O%19)(O%21)(O3)=O)=O)=O)([O]7[W]123(=O)O[W]46([O]8%16)(=O)O[W]78%11(O[Mn]%12%13%10O[W]%10%14(=O)(O7)O[W]7%15%16(O[Mn]%185(O[W]5(=O)(O7)(O1)[O]%15%18[Si]([O]924)([O]8%12%10)[O]12[W]4(O3)(O5)(O[W]1(O6)(O%11)(O[W]2(O%14)(O%16)(O4)=O)=O)=O)O%13)=O)=O)O%17)=O)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl
• 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: 14.3048 ± 0.0002 Å
• b: 20.0807 ± 0.0002 Å
• c: 34.0794 ± 0.0004 Å
• α: 102.599 ± 0.0005°
• β: 96.6992 ± 0.0005°
• γ: 93.5217 ± 0.0006°
• Cell volume: 9450.2 ± 0.2 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: 0.1358
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No