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Information card for entry 4300781
Preview
Coordinates | 4300781.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Cl2 Co15 H155 Na5 O172 Si3 W24 |
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Calculated formula | Cl2 Co15 Na3 O176 Si3 W24 |
SMILES | [W]1234(O[W]567(O[W]89%10(O[W]%11%12(O1)(O[W]1%13(O8)(O[W]8%14(O[W]%15%16(O[W]%17(O2)(O5)(=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH2])[O]47[Si]([O]8%16)([O]2[Co]45([Cl]7[Co]8%16%18([O]%19[Co]%20%21%22([O]=[W]%23%24%25(O[W]%26%27%28(O[W]%29%30%31(O[W]%32(O%26)(O%23)(O[W]%23%26%33(O[W]%34%35(O%29)(O[W]%29%36(O%23)(O[W](O%24)([O]%25[Si]([O]%27%31%32)([O]%23[Co]%247([O]7[Co]([O]=%15)([O]%30%24)([OH2])([O]=%14)[O]%34[Co]%237([Cl]7[Co]%142([O]4[Co]2([OH2])([O]=[W]4%15%23(O[W]%24%25(O[W]%27%30(O[W]%31(O%24)(O4)(O[W]4%24%32(O[W]%34%37(O%27)(O[W]%27%38(O4)(O[W](O%15)([O]%23[Si]([O]%25%30%31)([O]%18[Co]%197([O]%22%34)([OH2])[O]=%38)[O]%32%37%27)([O]%24)(=[O]2)=O)=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH2])[OH2])=O)=O)(=O)[O]8%20)(=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH2])=[O]%16)=O)([O]35)[O]%11%14)([OH2])[O]=%13)([OH2])[O]=%36)([OH2])[O]=%28)[O]%33%35%29)(O%26)(=[O]%21)=O)=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH2])=O)=O)=O)=O)=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH2])=O)[OH2])[OH2])([OH2])[O]=%17)[O]%10%121)(O6)=O)(O9)=O)=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH2])=O)=O)=O)=O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | The Satellite-Shaped Co-15 Polyoxotungstate [Co~6~(H~2~O)~30~{Co~9~Cl~2~(OH)~3~(H~2~O)~9~(SiW~8~O~31~)~3~}]^5-^ |
Authors of publication | Bassil, Bassem S.; Nellutla, Saritha; Kortz, Ulrich; Stowe, Ashley C.; van Tol, Johan; Dalal, Naresh S.; Keita, Bineta; Nadjo, Louis |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Journal issue | 8 |
Pages of publication | 2659 - 2665 |
a | 19.8754 ± 0.0017 Å |
b | 19.8754 ± 0.0017 Å |
c | 22.344 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7644 ± 1.7 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 473 ± 2 K |
Number of distinct elements | 7 |
Space group number | 176 |
Hermann-Mauguin space group symbol | P 63/m |
Hall space group symbol | -P 6c |
Residual factor for all reflections | 0.0854 |
Residual factor for significantly intense reflections | 0.0805 |
Weighted residual factors for significantly intense reflections | 0.1496 |
Weighted residual factors for all reflections included in the refinement | 0.1517 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.349 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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