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Information card for entry 4313523
Preview
| Coordinates | 4313523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 Cl N4 O6 Tc |
|---|---|
| Calculated formula | C15 H20 Cl N4 O6 Tc |
| SMILES | [Tc]123([n]4ccccc4CN1C(=O)CC(=O)N2Cc1[n]3cccc1)(=O)[OH2].[Cl-].O.O |
| Title of publication | Synthesis and Characterization of Novel 99gTc(V) and Re(V) Complexes with Water-Soluble Tetraaza Diamido Dipyridino Ligands: Single-Crystal X-ray Structural Investigations of Mono- and Dinuclear Complexes |
| Authors of publication | Laszlo Kurti; Dioni Papagiannopoulou; Minas Papadopoulos; Ioannis Pirmettis; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis; Michael Harmata; Robert R. Kuntz; Raghoottama S. Pandurangi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 2960 - 2967 |
| a | 13.957 ± 0.009 Å |
| b | 17.14 ± 0.01 Å |
| c | 7.768 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1858 ± 2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179196 (current) | 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 4/31/35. |
4313523.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313523.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313523.cif |
| 6592 | 2011-01-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4313523 via cif-deposit CGI script. |
4313523.cif |
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Users of the data should acknowledge the original authors of the
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