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Information card for entry 7007559
Preview
| Coordinates | 7007559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H74 Li4 Mo4 N6 O32 |
|---|---|
| Calculated formula | C58 H74 Li4 Mo4 N6 O32 |
| SMILES | [Mo]123(O[Mo]4([O]5[Li]([O]=C(c6c5c([O]4[Li]4([O]1c1c(O2)cccc1C(=[O]4)OCC=C)[O]=CN(C)C)ccc6)OCC=C)([O]=CN(C)C)[O]=[Mo]12(O[Mo]4([O]5[Li]([O]=3)([O]=C(c3c5c([O]4[Li]4([O]1c1c(O2)cccc1C(=[O]4)OCC=C)[O]=CN(C)C)ccc3)OCC=C)[O]=CN(C)C)(=O)=O)(=O)[O]=CN(C)C)(=O)=O)(=O)[O]=CN(C)C |
| Title of publication | Dicatechol cis-dioxomolybdenum(VI): a building block for a lithium cation templated monomer-dimer equilibrium. |
| Authors of publication | Albrecht, Markus; Baumert, Miriam; Klankermayer, Jürgen; Kogej, Michael; Schalley, Christoph A.; Fröhlich, Roland |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 36 |
| Pages of publication | 4395 - 4400 |
| a | 9.366 ± 0.001 Å |
| b | 12.826 ± 0.001 Å |
| c | 16.219 ± 0.001 Å |
| α | 85.79 ± 0.01° |
| β | 73.76 ± 0.01° |
| γ | 75.38 ± 0.01° |
| Cell volume | 1810 ± 0.3 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179779 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/75. |
7007559.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007559.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007559.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007559.cif |
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