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Information card for entry 4321597
Preview
| Coordinates | 4321597.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H100 Cl42 P4 Re6 |
|---|---|
| Calculated formula | C106 H100 Cl42 P4 Re6 |
| SMILES | c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[Cl]1[Re]234(Cl)([Re]51([Cl][Re]45([Cl]3)(Cl)(Cl)Cl)(Cl)(Cl)Cl)[Cl][Re]134([Cl]2)([Cl][Re]24([Cl][Re]32([Cl]1)(Cl)(Cl)Cl)(Cl)(Cl)Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Structural and Functional Characteristics of Rhenium Clusters Derived from Redox Chemistry of the Triangular [ReIII3(μ-Cl)3] Core Unit |
| Authors of publication | Daniel Neuman; Patrina Paraskevopoulou; Nikos Psaroudakis; Konstantinos Mertis; Richard J. Staples; Pericles Stavropoulos |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 5530 - 5537 |
| a | 14.481 ± 0.001 Å |
| b | 15.623 ± 0.001 Å |
| c | 18.033 ± 0.001 Å |
| α | 100.282 ± 0.002° |
| β | 108.082 ± 0.002° |
| γ | 108.964 ± 0.002° |
| Cell volume | 3486.2 ± 0.4 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179318 (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 4/32/15. |
4321597.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321597.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321597.cif |
| 18970 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4321597 via cif-deposit CGI script. |
4321597.cif |
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