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Information card for entry 4317155
Preview
| Coordinates | 4317155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H37.5 Cl1.5 Ga N4 O19.5 |
|---|---|
| Calculated formula | C16 H26 Cl1.5 Ga N4 O14.5 |
| Title of publication | Gallium(III) Complexes of DOTA and DOTA-Monoamide: Kinetic and Thermodynamic Studies |
| Authors of publication | Vojtěch Kubíček; Jana Havlíčková; Jan Kotek; Gyula Tircsó; Petr Hermann; Éva Tóth; Ivan Lukeš |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 10960 - 10969 |
| a | 23.2924 ± 0.0003 Å |
| b | 14.5562 ± 0.0003 Å |
| c | 15.7469 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5339 ± 0.2 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4317155.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4317155.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317155.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317155.cif |
| 10667 | 2011-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4317155 via cif-deposit CGI script. |
4317155.cif |
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Users of the data should acknowledge the original authors of the
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