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Information card for entry 4344697
Preview
| Coordinates | 4344697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H66 Ga N6 O12 P S |
|---|---|
| Calculated formula | C60 H66 Ga N6 O12 P S |
| Title of publication | Synthesis and Structural Studies of Gallium(III) and Iron(III) Hemicryptophane Complexes. |
| Authors of publication | Gosse, Isabelle; Robeyns, Koen; Bougault, Catherine; Martinez, Alexandre; Tinant, Bernard; Dutasta, Jean-Pierre |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 1011 - 1013 |
| a | 12.173 ± 0.005 Å |
| b | 12.317 ± 0.005 Å |
| c | 23.232 ± 0.009 Å |
| α | 79.25 ± 0.03° |
| β | 78.31 ± 0.02° |
| γ | 60.67 ± 0.03° |
| Cell volume | 2958 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0816 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1722 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344697.cif |
| 175574 | 2016-02-04 | cif/ Adding structures of 4344695, 4344696, 4344697 via cif-deposit CGI script. |
4344697.cif |
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Users of the data should acknowledge the original authors of the
structural data.