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Information card for entry 7219666
Preview
Coordinates | 7219666.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H72 N18 Ni3 O62 P2 W18 |
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Calculated formula | C90 H72 N18 Ni3 O62 P2 W18 |
SMILES | [W]1234([O]56[W]78(=O)(O[W]9%10%11([O]%12[W]%13(=O)(O[W]%14%15%16(=O)O[W]%17%18%19(O[W]%20%21([O]%22%23[W]%24%25(=O)(O[W]%26%27%28(=O)O[W]%29(=O)([O]%30[W]%31%32(O[W]%33(=O)([O]([W](O1)(=O)(O%18)(O%13)O%33)=P6%12%30)(O[W]5(=O)(O7)(O2)O%32)O[W]12(O[W]%22(=O)(O[W](=O)(O%31)([O]%26=P%23([O]%191)[O]%16[W](=O)(O%24)(O%15)(O%28)O%11)(O2)O%27)(O%21)O%25)(O%17)=O)(O%29)=O)(O9)O8)O%20)(=O)O%14)=O)(O%10)O3)=O)O4)=O.[Ni]123([n]4c(c5cccc[n]15)cccc4)([n]1c(cccc1)c1cccc[n]21)[n]1c(cccc1)c1cccc[n]31.[Ni]123([n]4ccccc4c4cccc[n]14)([n]1c(c4cccc[n]34)cccc1)[n]1ccccc1c1cccc[n]21.[Ni]123([n]4c(c5cccc[n]25)cccc4)([n]2c(c4cccc[n]34)cccc2)[n]2ccccc2c2cccc[n]12 |
Title of publication | A new heterogeneous photocatalyst based on Wells-Dawson polyoxometalate and nickel coordination compounds: synthesis, structure and property |
Authors of publication | Zhang, Lei; Shan, Bingqian; Yang, Hongxun; Wu, Dongshuang; Zhu, Rui; Nie, Jianhang; Cao, Rong |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 18.6171 ± 0.0005 Å |
b | 18.6171 ± 0.0005 Å |
c | 36.5398 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12664.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 78 |
Hermann-Mauguin space group symbol | P 43 |
Hall space group symbol | P 4cw |
Residual factor for all reflections | 0.0484 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.1017 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7219666.html
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