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Information card for entry 4322348
Preview
| Coordinates | 4322348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H126 Mo12 N6 Ni2 O48 |
|---|---|
| Calculated formula | C48 Mo12 N6 Ni2 O48 |
| SMILES | [Mo]1234(N=O)[O]567[Mo]89(O[Mo]5(O[Mo]7(O[Mo]6([O]3C)(O8)(=O)=O)([O]4C)(=O)=O)([O]2C)(O[Mo]23([O](C)[Ni]45([O](C)[Mo]67([O](C)[Ni]([O]24)([O]3C)([OH]C)([OH]C)[O]56)(O[Mo]234(O[Mo]56(O[Mo]8%10(O[Mo]%11([O]458[Mo](N=O)([O]3C)([O]6C)([O]%11C)[O]%10C)(O2)(=O)=O)(=O)=O)(O7)=O)=O)N=O)([OH]C)[OH]C)(O9)N=O)=O)([O]1C)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Synthesis, Structure, and Magnetic Properties of (n-Bu4N)2[{Ni(MeOH)2}2{Mo(NO)}2(μ3-OH)2(μ-OMe)4{Mo5O13(OMe)4(NO)}2], a New Type of Polyoxometalate Incorporating a Rhomb-like Cluster |
| Authors of publication | Richard Villanneau; Anna Proust; Francis Robert; Pierre Veillet; Pierre Gouzerh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 4981 - 4985 |
| a | 18.96 ± 0.007 Å |
| b | 25.99 ± 0.015 Å |
| c | 20.669 ± 0.005 Å |
| α | 90° |
| β | 109.58 ± 0.02° |
| γ | 90° |
| Cell volume | 9596 ± 7 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Goodness-of-fit parameter for significantly intense reflections | 3.1584 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4322348.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322348.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322348.cif |
| 20619 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322348 via cif-deposit CGI script. |
4322348.cif |
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