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Information card for entry 4312712
Preview
| Coordinates | 4312712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H28 Fe3 O7 P2 Se2 |
|---|---|
| Calculated formula | C39 H28 Fe3 O7 P2 Se2 |
| SMILES | [Fe]123([Fe]45([Fe]([Se]14)([Se]25)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](Cc1ccccc1C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O] |
| Title of publication | Reactivity of Ph2P(Se)CH2C6H4CH2P(Se)Ph2 with [M3(CO)12] (M = Ru or Fe). Synthesis and Characterization of the New Carbene Cluster [Ru3(μ3-Se)(μ3-H)(μ2-PPh2)(CO)6(μ2-CHC6H4CH2PPh2)] |
| Authors of publication | Daniele Belletti; Claudia Graiff; Chiara Massera; Alex Minarelli; Giovanni Predieri; Antonio Tiripicchio; Domenico Acquotti |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 8509 - 8518 |
| a | 11.451 ± 0.004 Å |
| b | 18.732 ± 0.005 Å |
| c | 18.798 ± 0.005 Å |
| α | 90° |
| β | 102.53 ± 0.005° |
| γ | 90° |
| Cell volume | 3936 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0836 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4312712.cif |
| 179166 | 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 4/31/27. |
4312712.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312712.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312712.cif |
| 5726 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4312712 via cif-deposit CGI script. |
4312712.cif |
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Users of the data should acknowledge the original authors of the
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