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Information card for entry 7029510
Preview
| Coordinates | 7029510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H90 I8 Mo6 N8 O21 |
|---|---|
| Calculated formula | C32 H72 I8 Mo6 N8 O18 |
| SMILES | [I]12[Mo]345678([I]9[Mo]%10%11%12%13%146([I]6[Mo]%15%16%17%18%19%12([I]%12[Mo]%20%2115%17([I]%15[Mo]79%136%18%21([I]4%20)ON(=O)=O)([Mo]28%14%19%12([I]3%10)([I]%11%16)ON(=O)=O)ON(=O)=O)ON(=O)=O)ON(=O)=O)ON(=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | A highly emissive inorganic hexamolybdenum cluster complex as a handy precursor for the preparation of new luminescent materials. |
| Authors of publication | Efremova, O. A.; Shestopalov, M. A.; Chirtsova, N. A.; Smolentsev, A. I.; Mironov, Y. V.; Kitamura, N.; Brylev, K. A.; Sutherland, A. J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 16 |
| Pages of publication | 6021 - 6025 |
| a | 14.5949 ± 0.0004 Å |
| b | 11.4521 ± 0.0003 Å |
| c | 22.3086 ± 0.0005 Å |
| α | 90° |
| β | 95.835 ± 0.001° |
| γ | 90° |
| Cell volume | 3709.39 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180001 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/95. |
7029510.cif |
| 108330 | 2014-03-30 | cif/ Adding structures of 7029510 via cif-deposit CGI script. |
7029510.cif |
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Users of the data should acknowledge the original authors of the
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