Information card for entry 7001680

Structure parameters

• Formula: C14 H67 Ge N7 O67 P2 W17
• Calculated formula: C8 N4 O66 P2 W18
• SMILES: C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(O[W]%12%13(O6)(O[W]6%14(O5)(O[W]5%15(O2)(O[W]2%16(O3)(O[W](O8)(O1)(=O)([O]2=P([O]479)([O]65)[O]%10%12)O[W]123(O[W]45(O%11)(O[W]67(O%13)(O[W]89(O%14)(O[W]%10%11(O%15)(O[W]%12(O%16)(O1)(=O)[O]2=P([O]8%10)([O]46)[O]12[W]4(O%11)(O%12)(=O)O[W]1(O9)(O7)(=O)O[W]2(O5)(O3)(=O)O4)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.O.O.O.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: 12.9435 ± 0.0012 Å
• b: 13.2455 ± 0.0013 Å
• c: 23.588 ± 0.002 Å
• α: 81.049 ± 0.001°
• β: 85.485 ± 0.001°
• γ: 68.512 ± 0.001°
• Cell volume: 3716.1 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1047
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No