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Information card for entry 4333540
Preview
| Coordinates | 4333540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 K9 Mn2 Na3 O83 Sb2 W20 |
|---|---|
| Calculated formula | C6 K9 Mn2 Na3 O83 Sb2 W20 |
| SMILES | C([Mn]12(C#[O])(C#[O])[O]=[W]345(=O)O[W]678(O[W]9%10(O3)(O[W]3%11(O6)(O[W]6%12%13(O[W]%14%15(O7)(=O)O[W]7(O4)(=O)(=[O]1)O[W]1(O%13)(O%14)(O[W]4%13(O[W]%14%16%17(O[W]%18%19%20(=[O][Mn]%21([O]=[W](O3)(O[W]3(O9)(=O)(=O)O[W]9%22(O[W]%23%24(O[W]%25(O%18)(O%14)(=O)O[W]%14%18%26(O[W]%27%28(O[W](O%23)(O%18)(O9)(=O)[O]%22%24[Sb]([O]%14%28[W](O%27)(O%19)(O%26)(=O)=[O]%21)[O]%17%20%25)(O3)=O)=O)(O%16)=O)(O4)=[O]2)(O6)([O]%11%12[Sb]([O]58%10)[O]%1571)O%13)(C#[O])(C#[O])C#[O])=O)=O)(=O)=O)=O)=O)=O)=O)=O)#[O].[K+].[K+].[K+].[K+].[K+].[Na+].O.O.O.[K+].[K+].[K+].[K+].[Na+].[Na+].O.O.O.O |
| Title of publication | Synthesis, Structures, and Photochemistry of Tricarbonyl Metal Polyoxoanion Complexes, [X2W20O70{M(CO)3}2]12- (X = Sb, Bi and M = Re, Mn) |
| Authors of publication | Chongchao Zhao; Choon Sung Kambara; Ye Yang; Alexey L. Kaledin; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 671 - 678 |
| a | 12.4433 ± 0.001 Å |
| b | 13.0947 ± 0.001 Å |
| c | 15.8076 ± 0.0013 Å |
| α | 83.375 ± 0.001° |
| β | 74.307 ± 0.001° |
| γ | 75.043 ± 0.001° |
| Cell volume | 2392.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179438 (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 4/33/35. |
4333540.cif |
| 99335 | 2014-01-31 | cif/ Adding structures of 4333540 via cif-deposit CGI script. |
4333540.cif |
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Users of the data should acknowledge the original authors of the
structural data.