Information card for entry 4303715

Structure parameters

• Formula: H182 Na25 Ni12 O228 P3 W35
• Calculated formula: Na25 Ni12 O228 P3 W35
• SMILES: [W]123=[O][Ni]4567[O]8[Ni]9%10%11%12[O]=[W]%13%14%15(O[W]%16%17(O[W]%18%19%20(O[W]%21%22%23(O[W]%24%25(O[W]%26(O[W]%27%28(O[W]%29(O%18)(O[W]([O]%21%24=P([O]%13%26%27)([O]%16%20%29)[O]7%11[Ni]7%11([O]=%19)([O]%10[Ni]%10%138([O]8[W]%16%18(=O)(O[W]%19%20%21(O[W]%24%26(O[W]%27%29([O]%30[W]%31%32%33%34(=[O][Ni]%35%36%37%38[O]=[W]%39%40%41([O]=[W]%42%43%44(O[W]%45%46(O[W]%47%48%49(O[W]%50%51%52(=[O][Ni]%53%54%55([O]%56%36[Ni]%36([O]%35[Ni]%358([O]%32[Ni]8%32%57([O]%58[Ni]%59%60%61([O]%62%63[Ni]%64%65%58([O]=%31)[O]=[W]%31%58%66(O[W]%67%68%69(O[W]%70%71%72(O[W]%73%74([O]%75%70[W]%70(O[W]%76%77(O[W]%78(O%31)(O[W](O%67)(O%76)([O]%77%78=P%63%75[O]%66%69[W](O%58)(=[O]%59)(O%68)(O%74)=O)(O%72)=O)(=[O]%64)=O)(=O)=[O][Ni]%62([O]%32%65)([O]=%70)([O]=2)[O]%57%60)(O%73)(O%71)=O)(=[O]%61)=O)=O)=O)=O)[O]=[W]([O]%138)(O%24)(O%27)(=O)=[O]%11)[O]1%10%35)([O]%37%53)[O]%55%36)([O]=[W]12(O[W](O%50)(O[W](O%47)(O%45)(O1)=O)([O]2=P%56([O]%39%43%46)[O]%49%52[W](O%51)(O%48)(=[O]%38)(O%40)=O)([O]=%54)=O)(O%42)=O)([O]=%16)[O]=%44)[O]=3)=O)=O)(=O)O%41)=O)=O)O[W]%30%34([O]%20%29)([O]%21%33)(=O)=O)(=O)[O]%19%26)(=O)O%18)=O)=[O]%12)[O]57)[O]=%23)(O%22)(O%25)(O%28)=O)(=O)O%17)(=O)O%15)(=[O]6)(O%14)=O)(=[O]4)=O)=O)=O)(=[O]9)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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: A New Ni12 Cluster Based on Polyoxometalate Ligands
• Authors of publication: Hong-Mei Zhang; Yang-Guang Li; Ying Lu; Rodolphe Clérac; Zhi-Ming Zhang; Qiong Wu; Xiao-Jia Feng; En-Bo Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10889 - 10891
• a: 21.505 ± 0.004 Å
• b: 22.959 ± 0.005 Å
• c: 26.026 ± 0.005 Å
• α: 66.49 ± 0.03°
• β: 74.21 ± 0.03°
• γ: 62.52 ± 0.03°
• Cell volume: 10392 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No