Information card for entry 4510564

Structure parameters

• Formula: C16 H86 Ge2 Mn2 N30 O80 Sn2 W18
• Calculated formula: C16 H68 Ge2 Mn2 N30 O80 Sn2 W18
• SMILES: C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.[O]1=[W]234(=O)[O]5[W]67(O[W]89%10(O[W]%11%12(O[W](O[W]%13%14(O[W]%15%16(O2)(=[O][Sn]2%17%18(CCC(=O)[O-])[O]%19%20[Ge]%215[O]9[W](O[W](O%13)(=O)([O]%14%15%21)(=[O]%17)O%16)(=[O][Mn]59%13%20[O]%14%15[Mn]%16%171%19[O]7[Sn]1%15(CCC(=O)[O-])([O]=[W]7%15%19(O[W]%20%21(=[O]5)(=O)[O]5[W]%22(O[W]%23%24(O[W]%25%26(O[W]%27(O[W](=O)(O%25)(O%22)O%21)(O[W]%21(O[W](=[O]%16)(O%23)([O]%24[Ge]%145[O]7%27%21)(O%26)=O)(=O)(=[O]1)O%19)(=O)O%15)=O)([O]2%17)=O)([O]%18%13)(O%20)=O)=O)[O]%109)(O8)(O%12)=O)=O)(O%11)=O)(=O)(O6)O4)=O)=O)(O3)=O.O.O.O.O.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.O.O
• Title of publication: A Novel Carboxyethyltin Functionalized Sandwich-type Germanotungstate: Synthesis, Crystal Structure, Photosensitivity, and Application in Dye-Sensitized Solar Cells.
• Authors of publication: Sang, Xiaojing; Li, Jiansheng; Zhang, Lancui; Wang, Zanjiao; Chen, Weilin; Zhu, Zaiming; Su, Zhongmin; Wang, Enbo
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 7876 - 7884
• a: 12.208 ± 0.003 Å
• b: 17.737 ± 0.004 Å
• c: 24.861 ± 0.005 Å
• α: 90°
• β: 115.658 ± 0.009°
• γ: 90°
• Cell volume: 4852.4 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No