Information card for entry 4326382

Structure parameters

• Formula: C18 H66 N6 O70 P2 Si2 W17
• Calculated formula: C14 H48 N4 O69 P2 Si2 W17
• SMILES: C(CC(=O)O)[Si]12O[W]345(O[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)[O]%10%12=P9%10[O]6[W]6(O%13)(=O)(O7)O[W]7%12(O%14)([O]9[W]9(O%15)(=O)(O7)O[W]7%13(O%16)([O]%10[W](O%11)(=O)(O7)(O8)O[W]78([O]%10=P%11%14[O]3[W]3(O6)(=O)(O4)O[W]46(O%12)([O]%11[W]%11(O9)(=O)(O4)O[W]%10(O%13)(=O)(O7)O[W]4([O]%14[W](O3)(O6)(O1)(O4)=O)(O%11)(O[Si](CCC(=O)O)(O8)O2)=O)=O)(=O)O5)=O)=O)=O)=O.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.O.O.O
• Title of publication: Synthesis and Structure of Dawson Polyoxometalate-Based, Multifunctional, Inorganic-Organic Hybrid Compounds: Organogermyl Complexes with One Terminal Functional Group and Organosilyl Analogues with Two Terminal Functional Groups
• Authors of publication: Kenji Nomiya; Yoshihiro Togashi; Yuhki Kasahara; Shotaro Aoki; Hideaki Seki; Marie Noguchi; Shoko Yoshida
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9606 - 9619
• a: 24.0572 ± 0.0015 Å
• b: 13.434 ± 0.0008 Å
• c: 26.7558 ± 0.0017 Å
• α: 90°
• β: 107.783 ± 0.001°
• γ: 90°
• Cell volume: 8233.9 ± 0.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No