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Information card for entry 4332083
Preview
Coordinates | 4332083.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | H53 K6 Na4 Ni6 O95.5 Si2 W18 |
---|---|
Calculated formula | K6 Na4 Ni6 O95.5 Si2 W18 |
SMILES | [K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Ni]1234([O]=[W]567(O[W]89%10([O]%11%12[Ni]%13%14([O]%15[Ni]%16%17%18([O]=[W]%19%20%21(O[W]%22%23%24(O[W]%25%26(=O)(O%20)O[W]%20%27(O[W]%28%29%30(O[W]%31%32%33(O[W]%34%35(O[W](O%31)(=O)(O%29)(O%25)[O]%30%33[Si]%25([O]%29%17[Ni](O[Ni]%15([O]=%34)([O]4%14)([O]=%23)[O]%24%35%25)([O]=[W]%29(O%28)(O%20)(=[O]%16)=O)([O]=%32)(O%18)[OH2])[O]%21%26%27)(=O)O%22)=O)=O)(O%19)=O)=O)=O)[OH2])(O[Ni]4%14([O]%151[Si]1%11[O]%115[W]5%16(O[W]%17%18([O]%191[W]1(O[W]%19(=O)(O%18)(=[O]4)O[W]%12(O1)(=[O]%13)(=O)O%10)(O[W]%11(O8)(O%16)(=O)O7)(O%17)=O)(O[W]%15(O5)(=[O]3)(=O)=[O]%14)=O)(O6)=O)([OH2])O2)[O]=9)=O)=O)[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Synthesis, Characterization, and Crystal Structures of Two Novel High-Nuclear Nickel-Substituted Dimeric Polyoxometalates |
Authors of publication | Zhang, Zhiming; Li, Yangguang; Wang, Enbo; Wang, Xinlong; Qin, Chao; An, Haiyan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 11 |
Pages of publication | 4313 - 4315 |
a | 19.58 ± 0.004 Å |
b | 22.55 ± 0.005 Å |
c | 22.521 ± 0.005 Å |
α | 90° |
β | 101.22 ± 0.03° |
γ | 90° |
Cell volume | 9754 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1051 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1416 |
Weighted residual factors for all reflections included in the refinement | 0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4332083.html
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