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Information card for entry 1529376
Preview
Coordinates | 1529376.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | O80 P2 Ti4 W20 |
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Calculated formula | O80 P2 Ti4 W20 |
SMILES | P123=[O]4[W]567(O[Ti]89%10%11O[W]%124(O5)(=O)O[W]45%13(O[W]%14%15%16(O[Ti]%17%18(O[W]%19([O]1%14)(O[W]1%14(O6)(=O)[O]62[W]2(O7)(O1)(O[W]1([O]34[W](O%16)(O%13)(O[W]6(O%19)(O%14)(O2)=O)(O1)=O)(O%12)(O5)=O)=O)(=O)O%15)([O]8[O]9%17)[O]1[Ti]234(O[W]567([O]8=P9%12[O]%13[W]%14%15%16(O[Ti]%17%19(O[W]%20%13(O%14)(=O)O[W]%13%14%21(O[W]8(O2)(O6)(=O)O[W]26([O]%12%13[W](O%20)(O%14)(O[W]8%12([O]%139[W](O%15)(O5)(=O)(O8)O[W]%13(O7)(O2)(O%12)=O)(O%16)=O)(O6)=O)(O%21)=O)=O)([O]3[O]4%17)[O]%10[O]%11%19)=O)=O)[O]%181)=O)=O)=O |
Title of publication | Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species |
Authors of publication | Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka |
Journal of publication | Catal. Sci. Technol. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 10 |
Pages of publication | 4778 |
a | 20.57 ± 0.004 Å |
b | 34.716 ± 0.007 Å |
c | 54.711 ± 0.011 Å |
α | 88.88 ± 0.03° |
β | 85.12 ± 0.03° |
γ | 79.8 ± 0.03° |
Cell volume | 38312 ± 14 Å3 |
Cell temperature | 95 ± 2 K |
Ambient diffraction temperature | 95 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1414 |
Residual factor for significantly intense reflections | 0.0999 |
Weighted residual factors for significantly intense reflections | 0.2311 |
Weighted residual factors for all reflections included in the refinement | 0.247 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
Diffraction radiation wavelength | 0.95 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1529376.html
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