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Information card for entry 4332483
Preview
Coordinates | 4332483.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H72 F6 Mo14 N6 Na4 O56 |
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Calculated formula | C24 H72 F6 Mo14 N6 Na4 O56 |
SMILES | [Mo]1234([F]56[Mo]78(O2)(O[Mo]29([F]%10[Mo]%11(O2)(O[Mo]2%12([F]([Mo](O1)(O2)(=O)(=O)[O]4[Mo]([O]%11%12)([O]89)=O)[Na]15%10([OH2][Na]245([F]8[Mo]9%10(O[Mo]%118(O[Mo]8%12%13([F]%142[Mo]2(O[Mo]%15%16([F]4[Mo](O9)(O%15)(=O)(=O)[O]%10[Mo]([O]2%16)([O]%11%13)=O)(=O)=O)(O8)(=O)=[O][Na]%14([O]=%12)([OH2]5)([OH2])[OH2])=O)(=O)=O)(=O)=O)[OH2]1)[OH2][Na]6([O]=7)([O]=3)([OH2])[OH2])(=O)=O)(=O)=O)(=O)=O)=O)=O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C |
Title of publication | Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates) |
Authors of publication | Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R. |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 14 |
Pages of publication | 5641 - 5652 |
a | 19.141 ± 0.005 Å |
b | 13.982 ± 0.003 Å |
c | 32.214 ± 0.008 Å |
α | 90° |
β | 99.474 ± 0.005° |
γ | 90° |
Cell volume | 8504 ± 4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0535 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179427 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/24. |
4332483.cif |
98339 | 2014-01-30 | cif/ Adding structures of 4332479, 4332480, 4332481, 4332482, 4332483 via cif-deposit CGI script. |
4332483.cif |
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Users of the data should acknowledge the original authors of the
structural data.