Information card for entry 4332083

Structure parameters

• Formula: H53 K6 Na4 Ni6 O95.5 Si2 W18
• Calculated formula: K6 Na4 Ni6 O95.5 Si2 W18
• SMILES: [K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Ni]1234([O]=[W]567(O[W]89%10([O]%11%12[Ni]%13%14([O]%15[Ni]%16%17%18([O]=[W]%19%20%21(O[W]%22%23%24(O[W]%25%26(=O)(O%20)O[W]%20%27(O[W]%28%29%30(O[W]%31%32%33(O[W]%34%35(O[W](O%31)(=O)(O%29)(O%25)[O]%30%33[Si]%25([O]%29%17[Ni](O[Ni]%15([O]=%34)([O]4%14)([O]=%23)[O]%24%35%25)([O]=[W]%29(O%28)(O%20)(=[O]%16)=O)([O]=%32)(O%18)[OH2])[O]%21%26%27)(=O)O%22)=O)=O)(O%19)=O)=O)=O)[OH2])(O[Ni]4%14([O]%151[Si]1%11[O]%115[W]5%16(O[W]%17%18([O]%191[W]1(O[W]%19(=O)(O%18)(=[O]4)O[W]%12(O1)(=[O]%13)(=O)O%10)(O[W]%11(O8)(O%16)(=O)O7)(O%17)=O)(O[W]%15(O5)(=[O]3)(=O)=[O]%14)=O)(O6)=O)([OH2])O2)[O]=9)=O)=O)[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis, Characterization, and Crystal Structures of Two Novel High-Nuclear Nickel-Substituted Dimeric Polyoxometalates
• Authors of publication: Zhang, Zhiming; Li, Yangguang; Wang, Enbo; Wang, Xinlong; Qin, Chao; An, Haiyan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4313 - 4315
• a: 19.58 ± 0.004 Å
• b: 22.55 ± 0.005 Å
• c: 22.521 ± 0.005 Å
• α: 90°
• β: 101.22 ± 0.03°
• γ: 90°
• Cell volume: 9754 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1051
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No