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Information card for entry 7049023
Preview
Coordinates | 7049023.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H64 Ce0.5 Cu4 Ge N6 Na0.5 O72 W12 |
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Calculated formula | C36 H24 Ce0.5 Cu4 Ge N6 Na0.5 O72 W12 |
SMILES | [n]12ccccc1C(=O)O[Cu]12[O]=C(c2[n]1cccc2)O[Cu]1(OC(=O)c2[n]1cccc2)[OH2].O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(O[W]%12%13(=O)(O2)[O]2%10[W]%10(O[W]%14%15%16(=O)O[W]%17%18(O[W]%19%20(O[W](=O)(O1)(O8)([O]%17%19[Ge]2([O]1%15[W](=O)(O[W]1(=O)(O%14)(O7)O%20)(O%12)(O3)O%16)[O]469)O%18)(O5)=O)(=O)O%10)(O%11)(O%13)=O)=O.[Ce](OC1=[O][Cu]2([n]3ccccc3C(O2)=[O][Cu]2([n]3ccccc3C(=O)O2)[OH2])[n]2ccccc12)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O |
Title of publication | Organic-inorganic hybrids assembled from plenary Keggin-type germanotungstate units and 3d-4f heterometal clusters. |
Authors of publication | Li, Huijie; Gong, Peijun; Jiang, Jun; Li, Yamin; Pang, Jingjing; Chen, Lijuan; Zhao, Junwei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 11 |
Pages of publication | 3730 - 3742 |
a | 18.7986 ± 0.0007 Å |
b | 14.7548 ± 0.0004 Å |
c | 31.1802 ± 0.0012 Å |
α | 90° |
β | 95.018 ± 0.001° |
γ | 90° |
Cell volume | 8615.3 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0588 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1356 |
Weighted residual factors for all reflections included in the refinement | 0.1378 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7049023.html
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