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Information card for entry 7016578
Preview
| Coordinates | 7016578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H54 Mn2 Na2 O59 W8 |
|---|---|
| Calculated formula | C6 Mn2 Na2 O59 W8 |
| SMILES | C(#[O])[Mn]12(C#[O])([O]3[W]45(=O)(=O)O[W]67(=O)(=O)O[W]893([O]5[W](=O)(=O)([O]14)(O[W]1(=O)(=O)(O[W]34(=O)(=O)[O]5[W]%10(=O)(O1)(O6)[O]1[W](=O)(=O)([O]3[Mn]51(C#[O])(C#[O])C#[O])(O7)[O]4%10)O8)[O]29)=O)C#[O].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O |
| Title of publication | Novel octatungstate-supported tricarbonyl metal derivatives: {[H(2)W(8)O(30)][M(CO)(3)](2)}(8-) (M = Mn(I) and Re(I)). |
| Authors of publication | Niu, Jingyang; Yang, Linping; Zhao, Junwei; Ma, Pengtao; Wang, Jingping |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 33 |
| Pages of publication | 8298 - 8300 |
| a | 9.6124 ± 0.0008 Å |
| b | 12.1841 ± 0.001 Å |
| c | 14.0241 ± 0.0011 Å |
| α | 71.523 ± 0.001° |
| β | 87.454 ± 0.001° |
| γ | 71.141 ± 0.001° |
| Cell volume | 1471.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1016 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1823 |
| Weighted residual factors for all reflections included in the refinement | 0.2061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179869 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/65. |
7016578.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016578.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016578.cif |
| 27465 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016578, 7016579, 7016580 via cif-deposit CGI script. |
7016578.cif |
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