Information card for entry 7001679

Structure parameters

• Formula: C26 H187 N13 O228 P6 Si6 W51
• Calculated formula: C14 N7 O192 P6 Si6 W51
• SMILES: C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O=[W]1234O[W]567(=O)O[W]89(O1)(=O)[O]25=P12[O]5[W]%10%11(O3)(O[W]3%12(O4)([O]1[W]1(O8)(O3)(=O)O[W]34(O9)([O]2[W]2(O7)(O[W]5(O6)(O%10)(=O)O[W]567([O]8=P9%10[O]%13[W]%14%15(O%12)(O[W]8(O%11)(=O)(O5)O[Si]58O[Si](O[Si]%11%12O[Si]%16(O[W]%17%18%19(=O)O[W]%20%21(=O)(O%11)[O]%17=P%11%17[O]%22[W]%23%24(O%16)(O[W]%16%25(O%12)([O]%17[W]%12(O%21)(O[W]%17%21(O%20)([O]%11[W]%11(O%19)(O[W]%22(O%18)(O%23)(=O)O[W]%18%19%20([O]%22=P%23%26[O]%27[W]%28(O%11)(O%19)(=O)O[W]%11%27(O%21)(=O)O[W]%19(O%12)(O%23)(=O)O[W]%12(O%25)(O[W]%22(O%24)(=O)(O%18)O[W]%18%21([O]%22%26[W](O%20)(O%28)(O%18)(=O)O[W]%22(O%11)(O%19)(=O)O%21)(O%12)=O)=O)=O)(=O)O%17)=O)(=O)O%16)=O)=O)O[Si]%11%12O[W]%16%17%18(=O)O[W]%19%20%21(=O)O[Si](O5)(O%11)O[W]5%11%22([O]%23=P%24([O]%16%19)[O]%16[W]%19(O%12)(O5)(=O)O[W]5%16(O%17)(=O)O[W]%12%16(O%18)([O]%24[W]%17(O%20)(O%12)(=O)O[W]%23(O%21)(=O)(O%11)O[W]%11%12%18([O]=P%20%21[O]%23[W]%24%25(O%19)(O[W](O%22)(O%12)(=O)O[W]%12%19([O]%22%21[W]%21%26(O[W]%23(O5)(O%24)(=O)O[W]5(O%16)([O]%20[W](O%17)(O5)(=O)(O%11)O[W]%22(O%18)(O%26)(=O)O%19)(=O)O%21)(O%12)=O)(O%25)=O)=O)=O)=O)=O)(O%15)O[W]5%11%12([O]%10[W](O[W]%10(O2)([O]9[W](O4)(O[W]%13(O1)(O%14)(=O)O%11)(=O)(O%10)O5)(O6)=O)(O7)(O8)(=O)O%12)=O)=O)=O)(=O)O3)=O)=O)=O.O.O.C[NH2+]C.C[NH2+]C.C[NH2+]C.O
• Title of publication: Cyclic oligomer of oxide clusters through a siloxane bond. Synthesis and structure of reaction products of α2-mono-lacunary Dawson polyoxometalate with tetrachlorosilane and tetraethoxysilane
• Authors of publication: Kurashina, Takayuki; Aoki, Shotaro; Hirasawa, Ryota; Hasegawa, Takeshi; Kasahara, Yuhki; Yoshida, Shoko; Yoza, Kenji; Nomiya, Kenji
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 28
• Pages of publication: 5542 - 5550
• a: 15.864 ± 0.01 Å
• b: 37.04 ± 0.02 Å
• c: 21.361 ± 0.013 Å
• α: 90°
• β: 110.461 ± 0.011°
• γ: 90°
• Cell volume: 11760 ± 12 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No