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Information card for entry 4317711
Preview
| Coordinates | 4317711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H33 B2 F8 Mo2 N9 O4 |
|---|---|
| Calculated formula | C36 H33 B2 F8 Mo2 N9 O4 |
| SMILES | [Mo]12345[Mo]6([O]=C(O1)C)(OC(=[O]2)C)([n]1c2[n]3c(ccc2ccc1)c1[n]4cccc1)[n]1c(c2[n]6c3[n]5cccc3cc2)cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC.N#CC |
| Title of publication | Homologous Series of Redox-Active, Dinuclear Cations [M2(O2CCH3)2(pynp)2]2+ (M = Mo, Ru, Rh) with the Bridging Ligand 2-(2-Pyridyl)-1,8-naphthyridine (pynp) |
| Authors of publication | Cristian Saul Campos-Fernández; Lisa M. Thomson; José Ramón Galán-Mascarós; Xiang Ouyang; Kim R. Dunbar |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 1523 - 1533 |
| a | 15.134 ± 0.005 Å |
| b | 14.301 ± 0.006 Å |
| c | 19.99 ± 0.006 Å |
| α | 90° |
| β | 108.06 ± 0.02° |
| γ | 90° |
| Cell volume | 4113 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1545 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.169 |
| Weighted residual factors for all reflections included in the refinement | 0.2064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179257 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/77. |
4317711.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317711.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317711.cif |
| 13989 | 2011-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4317711 via cif-deposit CGI script. |
4317711.cif |
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