Information card for entry 4326383

Structure parameters

• Formula: C36 H140 N12 O136 P4 Si4 W34
• Calculated formula: C26 H76 N7 O131 P4 Si4 W34
• SMILES: C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.C(C=C)[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%12P9%10=[O]%12[W]%17(O%11)(O7)(=O)O[W]7%12(O%13)(=O)O[W]%11%12(O%14)([O]9[W]9(O%15)(O%11)(=O)O[W](O%16)([O]6%10)(=O)(O8)O[W]68([O]3=P3%10[O]%11[W]%13(O%17)(O4)(=O)O[W]4%11(O7)(=O)O[W]7%11(O%12)([O]3[W](O9)(O7)(=O)(O6)O[W]3([O]%10[W](O4)(O%11)(O[Si](CC=C)(O%13)O1)(=O)O3)(O8)(=O)O2)=O)(=O)O5)=O)=O)=O.C(C=C)[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%12P9%10=[O]%12[W]%17(O%11)(O7)(=O)O[W]7%12(O%13)(=O)O[W]%11%12(O%14)([O]9[W]9(O%15)(O%11)(=O)O[W](O%16)([O]6%10)(=O)(O8)O[W]68([O]3=P3%10[O]%11[W]%13(O%17)(O4)(=O)O[W]4%11(O7)(=O)O[W]7%11(O%12)([O]3[W](O9)(O7)(=O)(O6)O[W]3([O]%10[W](O4)(O%11)(O[Si](CC=C)(O%13)O1)(=O)O3)(O8)(=O)O2)=O)(=O)O5)=O)=O)=O.O.O.O.O.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: 13.284 ± 0.003 Å
• b: 25.075 ± 0.005 Å
• c: 26.17 ± 0.005 Å
• α: 68.08 ± 0.03°
• β: 88.92 ± 0.03°
• γ: 76.63 ± 0.03°
• Cell volume: 7846 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No