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Information card for entry 4113970
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| Coordinates | 4113970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Mo2(DAniF)3]2(mu-2,3-dioxyquinoxalinate),3(CH2Cl2) |
|---|---|
| Formula | C101 H100 Cl6 Mo4 N14 O14 |
| Calculated formula | C101 H100 Cl6 Mo4 N14 O14 |
| Title of publication | Cyclic Polyamidato Dianions as Bridges between Mo24+ Units: Synthesis, Crystal Structures, Electrochemistry, Absorption Spectra, and Electronic Structures |
| Authors of publication | F. A. Cotton; James P. Donahue; Carlos A. Murillo; Lisa M. Pérez; Rongmin Yu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 8900 - 8910 |
| a | 12.5325 ± 0.0008 Å |
| b | 14.328 ± 0.0009 Å |
| c | 15.3801 ± 0.001 Å |
| α | 72.668 ± 0.001° |
| β | 84.678 ± 0.001° |
| γ | 72.656 ± 0.001° |
| Cell volume | 2516.4 ± 0.3 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 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 | 0.0591 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178910 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/39. |
4113970.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113970.cif |
| 67246 | 2012-09-20 | cif/ Adding structures of 4113970 via cif-deposit CGI script. |
4113970.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.