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Information card for entry 4320313
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| Coordinates | 4320313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Re(CO)3(k3-PN2)]x2MeOH |
|---|---|
| Chemical name | Rhenium(I)-(k3PN2)tricarbonyl |
| Formula | C26 H28 N2 O6 P Re |
| Calculated formula | C26 H28 N2 O6 P Re |
| SMILES | [Re]12([P](c3ccccc3C(=O)N2CC[NH2]1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].OC.OC |
| Title of publication | Re Tricarbonyl Complexes with Ligands Containing P,N,N and P,N,O Donor Atom Sets: Synthesis and Structural Characterization |
| Authors of publication | João D. G. Correia; Ângela Domingos; Isabel Santos; Roger Alberto; Kirstin Ortner |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5147 - 5151 |
| a | 10.1237 ± 0.0008 Å |
| b | 9.4959 ± 0.0004 Å |
| c | 28.365 ± 0.002 Å |
| α | 90° |
| β | 98.707 ± 0.009° |
| γ | 90° |
| Cell volume | 2695.4 ± 0.3 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.038 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.811 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179306 (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 4/32/03. |
4320313.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320313.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320313.cif |
| 17217 | 2011-04-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4320313 via cif-deposit CGI script. |
4320313.cif |
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Users of the data should acknowledge the original authors of the
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