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Information card for entry 4309756
Preview
| Coordinates | 4309756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H73 N2 O19 P6 Re3 U |
|---|---|
| Calculated formula | C79 H73 N2 O19 P6 Re3 U |
| SMILES | [U]123([O]=P(c4ccccc4)(CP(=[O]3)(c3ccccc3)c3ccccc3)c3ccccc3)(O[Re](=O)(=O)=O)([O]=P(c3ccccc3)(c3ccccc3)CP(=[O]1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(CP(=[O]2)(c1ccccc1)c1ccccc1)c1ccccc1)O.[Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-].N#CC.C(#N)C |
| Title of publication | The Synthesis, Structural, and Spectroscopic Characterization of Uranium(IV) Perrhenate Complexes |
| Authors of publication | Gordon H. John; Iain May; Clint A. Sharrad; Andrew D. Sutton; David Collison; Madeleine Helliwell; Mark J. Sarsfield |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 7606 - 7615 |
| a | 13.2883 ± 0.0007 Å |
| b | 29.7796 ± 0.0016 Å |
| c | 20.2358 ± 0.0011 Å |
| α | 90° |
| β | 90.171 ± 0.001° |
| γ | 90° |
| Cell volume | 8007.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0617 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179135 (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 4/30/97. |
4309756.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309756.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309756.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). |
4309756.cif |
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