Information card for entry 7035031

Structure parameters

• Formula: C124 Cl12 Ga N7 O70 Si2 W18
• Calculated formula: C124 Cl12 Ga N7 O70 Si2 W18
• SMILES: O1[W]234(=O)O[W]567(O[Ga]891([O]36[Si]13[O]6[W]%10(=O)(=O)(O5)O[W]56(=O)(=O)O[W]6%11(=O)(=O)O[W](=O)(=O)(O2)([O]16)O[W]12([O]63[W](O7)(O%10)(O1)(O[W]6(O5)(O%11)(O2)=O)=O)(O4)=O)O[W]123(=O)O[W]45([O]8)(=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([N+](CCCC)(CCCC)CCCC)CCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.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: 14.6663 ± 0.0002 Å
• b: 18.6722 ± 0.0003 Å
• c: 19.0211 ± 0.0003 Å
• α: 106.606 ± 0.0006°
• β: 92.4161 ± 0.0008°
• γ: 97.9292 ± 0.001°
• Cell volume: 4925.69 ± 0.13 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: 0.1056
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No