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Information card for entry 4322578
Preview
| Coordinates | 4322578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H124 Ag2 F18 Fe2 O22 P10 S6 |
|---|---|
| Calculated formula | C58 H124 Ag2 F18 Fe2 O22 P10 S6 |
| SMILES | C(#[O])[Fe]12([OH2])([P](CC[P]1(CC)CC)(CC)CC)[P](CC[P]2(CC)CC)(CC)CC.FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)O[Ag]([P](CC[P]([Ag](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(CC)CC)(CC)CC)OS(=O)(=O)C(F)(F)F.C(#[O])[Fe]12([OH2])([P](CC[P]1(CC)CC)(CC)CC)[P](CC[P]2(CC)CC)(CC)CC.FC(F)(F)S(=O)(=O)[O-] |
| Title of publication | Acidic Dicationic Iron(II) Dihydrogen Complexes and Compounds Related by H2 Substitution |
| Authors of publication | Shaun E. Landau; Robert H. Morris; Alan J. Lough |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 6060 - 6068 |
| a | 16.6339 ± 0.0006 Å |
| b | 14.706 ± 0.0005 Å |
| c | 19.0563 ± 0.0006 Å |
| α | 90° |
| β | 94.328 ± 0.002° |
| γ | 90° |
| Cell volume | 4648.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.1013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179328 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/25. |
4322578.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322578.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322578.cif |
| 20889 | 2011-06-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4322578 via cif-deposit CGI script. |
4322578.cif |
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Users of the data should acknowledge the original authors of the
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