Information card for entry 4322042

Structure parameters

• Formula: Bi H56 N3 Na2 O57 W10 Zn
• Calculated formula: Bi Na2 O60 W10 Zn
• SMILES: [O]1=[W]234(=O)O[W]567(=O)=[O][Zn]1([OH2])([OH2])([OH2])[O]=[W]189%10O[W]%11%12(=O)(=O)O[W]%13%14(O5)(=O)[O]56[W]6(O[W]%15%16(O2)([O]23[Bi]5[O]35[W]%17%18(O%15)(=O)O[W]2(O4)(O%16)(O[W]2(O[W]4%15%16(O[W]%19%20%21(O[W]%22%23(O[W]%24%25(O[W]%26%27(O%22)([O]%23%24[Bi]%22[O]4%21[W](O%20)(O%26)(=O)(O[W]4(O%16)(O[W](O%27)(=O)(O%25)(O1)[O]8%224)(=O)O9)O%15)=O)(O%12)=O)(=O)=[O][Zn]([OH2])([O]=[W]5(O%17)(O[W]3(O6)(O%14)(O%18)=O)(O%11)O2)([O]=%19)([OH2])[OH2])=O)=O)(O%10)(=O)=O)=O)=O)(O%13)(O7)=O.[Na+].O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Heteropolymetalate Clusters of the Subvalent Main Group Elements BiIII and SbIII
• Authors of publication: Ina Loose; Elisabeth Droste; Michael Bösing; Heinrich Pohlmann; Michael H. Dickman; Cristina Rosu; Michael T. Pope; Bernt Krebs
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2688 - 2694
• a: 12.757 ± 0.003 Å
• b: 15.002 ± 0.003 Å
• c: 16.139 ± 0.003 Å
• α: 68.43 ± 0.03°
• β: 89.85 ± 0.03°
• γ: 66.86 ± 0.03°
• Cell volume: 2604.7 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No