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Information card for entry 4309061
Preview
| Coordinates | 4309061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H39 Cl2 N2 O P2 Re |
|---|---|
| Calculated formula | C36 H39 Cl2 N2 O P2 Re |
| SMILES | [Re]12(Cl)([P](CC[NH]2CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OCC)=Nc1ccccc1.[Cl-] |
| Title of publication | New Approach to the Chemistry of Technetium(V) and Rhenium(V) Phenylimido Complexes: Novel [M(NPh)PNP]3+ Metal Fragments (M = Tc, Re; PNP = Aminodiphosphine) Suitable for the Synthesis of Stable Mixed-Ligand Compounds |
| Authors of publication | Marina Porchia; Francesco Tisato; Fiorenzo Refosco; Cristina Bolzati; Mario Cavazza-Ceccato; Giuliano Bandoli; Alessandro Dolmella |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 4766 - 4776 |
| a | 11.752 ± 0.002 Å |
| b | 12.519 ± 0.003 Å |
| c | 15.482 ± 0.003 Å |
| α | 75.97 ± 0.03° |
| β | 68.9 ± 0.03° |
| γ | 64.96 ± 0.03° |
| Cell volume | 1914.4 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.886 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179128 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/90. |
4309061.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309061.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309061.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309061.cif |
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