Information card for entry 7003131

Structure parameters

• Formula: C6 H30 K2 N2 Na5 Ni4 O74 P2 W18
• Calculated formula: C6 K2 N2 Na5 Ni4 O74 P2 W18
• SMILES: [K+].O=[W]1234=[O][Ni]567([O]=P89[O]%10[W]%11%12%13([O]%14[Ni]%15%16[O]=[W]%17%10(O[W]%10(O%11)(O[W](O[W](=[O]5)(O%17)([O]29)(O4)=O)(O[W]2(O[W]45(O1)([O]8[W]([O]1[Ni]8([O]=4)[O]6[W]469(O[W]%11%17(O[W]%18(=[O]8)([O]6P68=[O][Ni]%19%141([O]=[W]1%14(O[W]%20(O%11)(O[W]%11(=O)(O[W]%21(O[W](=[O]%19)(=O)([O]81)(O%20)O%14)([O]6[W]([O]7%15)(O%11)(O4)(=O)O%21)(=[O]%16)=O)O%17)=O)(O%18)=O)[OH2])(=O)O9)=O)=O)(O2)(O%12)(=O)O5)=O)(O%10)=O)(O3)=O)=O)(=O)O%13)=O)[OH2].O.NCCCCCCN.[Na+].[Na+].[Na+].O.O.[K+].[Na+].[Na+].O
• Title of publication: Two extended structures constructed from sandwich-type polyoxometalates functionalized by organic amines
• Authors of publication: Zhang, Zhiming; Liu, Jia; Wang, Enbo; Qin, Chao; Li, Yangguang; Qi, Yanfei; Wang, Xinlong
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 463 - 468
• a: 34.525 ± 0.007 Å
• b: 20.508 ± 0.004 Å
• c: 12.39 ± 0.003 Å
• α: 90°
• β: 106.25 ± 0.03°
• γ: 90°
• Cell volume: 8422 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No