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Information card for entry 4306502
Preview
| Coordinates | 4306502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Bis(acetylpyrazine ^4^N-phenylthiosemicarbazonato)-N,N,S-gallium(III)] nitrate monohydrate |
|---|---|
| Formula | C26 H26 Ga N11 O4 S2 |
| Calculated formula | C26 H26 Ga N11 O4 S2 |
| SMILES | [Ga]1234(SC(Nc5ccccc5)=N[N]3=C(c3cncc[n]23)C)SC(=N[N]1=C(c1[n]4ccnc1)C)Nc1ccccc1.O=N(=O)[O-].O |
| Title of publication | An Electrochemical Study of Antineoplastic Gallium, Iron and Ruthenium Complexes with Redox Noninnocent α-N-Heterocyclic Chalcogensemicarbazones |
| Authors of publication | Christian R. Kowol; Erwin Reisner; Ion Chiorescu; Vladimir B. Arion; Markus Galanski; Dirk V. Deubel; Bernhard K. Keppler |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 11032 - 11047 |
| a | 14.9818 ± 0.0005 Å |
| b | 22.0746 ± 0.0007 Å |
| c | 8.6006 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2844.37 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179103 (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 4/30/65. |
4306502.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306502.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306502.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306502.cif |
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