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Information card for entry 7213998
Preview
Coordinates | 7213998.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H145 Cu N20 Na2 O148 P4 Tb W34 |
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Calculated formula | C12 H52 Cu N12 Na2 O136 P4 Tb W34 |
SMILES | C1C[N][Cu]2([NH2]1)[NH2]CC[N]2.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].O1[W]234(=O)O[W]567([O]2=P28[O]9[W]%10%11%12(O[W]%13%14%15(O[W]%16%17%18(O[W]%19%20%21(O[W]%22%23%24(O[W]%25%26(=[O][Tb]%27%28%29%301([O]=[W]1%31([O]2[W](=[O]%29)(O[W]9(O[W]29(O[W]%29(O%20)([O]%16%21P(=[O]%24[W](O%23)(O%17)(O%14)(O[W](O%25)(O%10)(O1)(=O)[O]8%26)=O)([O]%152)[O]1[W](O4)(=O)(O%22)(O[W]1(O%29)(O9)(O5)=O)O%19)(O%18)=O)(O%13)=O)(=O)(O%11)O6)(O%31)(=O)O7)(O%12)=O)[O]=[W]124(=O)O[W]567([O]1=P18[O]9[W]%10%11(O[W]%12%13%14(O[W]%15%16%17(O[W]%18%19%20(O[W]%21%22%23(O[W]%24(=[O]%27)(=O)(O2)O[W]2%25(O[W]9(O[W]9%26(O[W]%27(O%19)([O]%15%20P(=[O]%23[W](O%22)(O%27)(O9)(O%25)=O)([O]%13%26)[O]9[W](O4)(=O)(O%21)(O[W]9(O%17)(O%14)(O7)=O)O%18)(=O)O%16)(=O)O%12)(=O)(O%10)O[W]4(=[O]%28)(=O)(O[W](=[O]%30)(O%11)(=O)([O]14)O6)O2)(=O)[O]8%24)=O)=O)=O)=O)(=O)O5)=O)(=O)O3)=O)=O)=O)=O)=O)=O.[Na+].O.O.O.O.O.O.O.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].[Na+].O.O.O.O.O.O.O |
Title of publication | A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers |
Authors of publication | Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 11 |
Pages of publication | 2230 |
a | 48.2903 ± 0.0015 Å |
b | 13.6014 ± 0.0003 Å |
c | 22.1554 ± 0.0005 Å |
α | 90° |
β | 100.647 ± 0.003° |
γ | 90° |
Cell volume | 14301.5 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 9 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.119 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7213998.html
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