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Information card for entry 4317714
Preview
| Coordinates | 4317714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H36 B F10 N10 O4 P Rh2 |
|---|---|
| Calculated formula | C38 H36 B F10 N10 O4 P Rh2 |
| SMILES | [Rh]123([Rh]4([n]5c(c6[n]4c4[n]2cccc4cc6)cccc5)([O]=C(O1)C)(OC(=[O]3)C)[N]#CC)([n]1c2nc(c3ccccn3)ccc2ccc1)[N]#CC.[B](F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C.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 | 12.535 ± 0.003 Å |
| b | 13.116 ± 0.003 Å |
| c | 13.785 ± 0.003 Å |
| α | 82.52 ± 0.03° |
| β | 77.7 ± 0.03° |
| γ | 85.76 ± 0.03° |
| Cell volume | 2193 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.125 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1629 |
| Weighted residual factors for all reflections included in the refinement | 0.1865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256620 (current) | 2020-09-22 | cif/4 Fixing some Z values and formulae |
4317714.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4317714.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317714.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317714.cif |
| 13992 | 2011-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4317714 via cif-deposit CGI script. |
4317714.cif |
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