Information card for entry 7219731

Structure parameters

• Formula: C5 As2 N15 Na2 Ni2 O91 W19
• Calculated formula: C5 As2 N15 Na2 Ni2 O91 W19
• SMILES: C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.[O]=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(O[W]%12(O6)(O[W]6(O5)(O[W]5(O3)(O[W]3(O2)(O[W](O8)(=O)(O1)([O]9%10[As]([O]453)[O]7%126)=O)(=O)=O)(=O)=O)(=O)=O)(=O)O[W]1(O%11)(=O)(=O)O[W]234(O[W]567(O[Ni](O[W]89(O[W]%10%11%12(O[Ni](O[W]%13%14(O[W]%15(O1)(O2)(=O)[O]1%13[As]2[O]8%11[W]8(O%12)(O9)(O[W]([O]362)(O7)(O4)(O[W]1(O%15)(O%14)(O8)=O)=O)=O)(=O)O%10)([OH2])([OH2])([OH2])[OH2])=O)(O5)=O)([OH2])([OH2])([OH2])[OH2])=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• Title of publication: Synthesis, crystal structure and catalytic activity of Guanidinium cation directed Nickel (II)-containing open Wells‒Dawson 19-tungstodiarsenate (III) [{Ni(H2O)4}2{Na(H2O)}As2W19O67(H2O)]9-
• Authors of publication: Saini, Mukesh; Gupta, Rakesh; Singh, Surendra; Hussain, Firasat
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.1357 ± 0.0004 Å
• b: 16.6865 ± 0.0005 Å
• c: 26.3032 ± 0.0006 Å
• α: 84.426 ± 0.002°
• β: 84.995 ± 0.002°
• γ: 66.972 ± 0.003°
• Cell volume: 5273.2 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No