Information card for entry 7040656

Structure parameters

• Formula: H43 K14 Na6 Nb32 Ni10 O183
• Calculated formula: K14 Na6 Nb32 Ni10 O183
• SMILES: [K+].[K+].[K+].O.[Na+].O.[K+].O.O.O.[K+].O=[Nb]1234O[Nb]5678=[O][Ni]9%10%11([O]%12%13[Nb]%14%15%16([O]%10[Nb]%10%17%18%19[O]%209[Ni]9%21%22%12[O]%12%23%14%17[Nb]%14(O%19)(O%16)(=O)O[Nb]%16%17%12(O%18)[O]%12%21[Nb]%18%19%21%24=[O][Ni]%25%26%27([O]%28%29[Nb]%30%31%32%33=[O][Ni]%34%35%36([O]%37%38[Nb]%39%40%41([O]%35[Nb]%35%42%43([O]%44%34[Nb]%34%45%46%47=[O][Ni]%48%29([O]=%16)([O]%30[Nb]%16%29%30([O]%48[Nb]%48%49%28(=[O][Ni]%28%50%12([O]9([Nb]%23(O%15)([O]%17%28)(=O)O%14)[Nb]9%12([O]%18%50)([O]%14%15%22%19[Nb]%17%20(=[O][Ni]%18%19%20([O]%226[Nb]6%23%28%50=[O][Ni]%51%52%53([O]%54%55[Nb]%56%57([O]%52[Nb]%52%58([O]%59%51[Nb]%51%60(=[O][Ni]%61%22([O]=%10)([O]5[Nb]5(O1)([O]6%61)([O]128%50[Nb]([O]7%19)([O]%20%23)(O[Nb]1(O%28)(O5)(O4)=O)(O3)=O)=O)[OH2])([O]%53[Nb]12%54([O]3%45%51([Nb]%37([O]%36%34)(O[Nb]3(O1)(O%60)(O%47)=O)(O2)=O)[Ni]%38%44%55%59[O]%39%35%56%52[Nb](O%58)(O%43)(O%57)(O%41)=O)=O)O%46)(=[O]%18)O%42)(O%40)=O)[OH2])[OH2])([O]%11[Nb]%13%14(O[Nb]%15(O9)(O%17)(O%24)=O)(O%12)=O)O%21)=O)[OH2])[O]%26[Nb]12([O]%27%31)([O]3%33%16%49[Nb](O%32)(O1)(O%30)(O[Nb]3(O%48)(O%29)(O2)=O)=O)=O)=O)[OH2])=[O]%25)=O)[OH2])[OH2])=O)[OH2].O.O.[K+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].O.O.[K+].[K+].O.[Na+].O.[K+].O.O.O.[K+].O.O.[K+].O.O.[K+].O.[Na+].O.O.[Na+].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.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: The {Ni10Nb32} aggregate: a perspective on isopolyniobates as ligands.
• Authors of publication: Liang, Zhijie; Zhang, Dongdi; Wang, Haiying; Ma, Pengtao; Yang, Zongfei; Niu, Jingyang; Wang, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 16173 - 16176
• a: 15.1399 ± 0.0014 Å
• b: 24.824 ± 0.002 Å
• c: 25.19 ± 0.003 Å
• α: 90°
• β: 103.469 ± 0.002°
• γ: 90°
• Cell volume: 9206.8 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No