Information card for entry 7035028

Structure parameters

• Formula: C116 Ga Mn4 N11 O78 Si2 W18
• Calculated formula: C116 Ga Mn4 N11 O78 Si2 W18
• SMILES: [W]1234([O]5[Mn]678O[W]9%10%11(=O)O[W]%12%13%14(O[Mn]%15%16([O]%17[W]%18%19(=O)(O1)O[W]1%20%21(O[Mn]%22%23%24O[W]%25%26(=O)(O1)O[W]1%27%28(O[Mn]%29%30(O[W]%31(=O)(O1)(O2)[O]%27%29[Si]([O]3%18[Ga]125%17[O]%30[W]35%17(=O)O[W]%18%27([O]%231)(=O)O[W]1(O%15)(=O)(O%12)[O]%13%16[Si]%12([O]25%18)[O]7%10[W](O6)(=O)(O9)(O3)O[W]23([O]5%12[W](O%27)(O1)(O2)(O[W]5(O%14)(O%11)(O3)=O)=O)(O%17)=O)([O]%20%22%25)[O]12[W]3(O4)(O%31)(O[W]1(O%19)(O%21)(O[W]2(O%26)(O%28)(O3)=O)=O)=O)O%24)=O)=O)O8)=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.CN(=O)=O.CN(=O)=O.CN(=O)=O.CN(=O)=O
• 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: 28.5709 ± 0.0001 Å
• b: 22.3114 ± 0.0001 Å
• c: 29.6879 ± 0.0002 Å
• α: 90°
• β: 104.998 ± 0.001°
• γ: 90°
• Cell volume: 18280.1 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No