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Information card for entry 2012050
Preview
| Coordinates | 2012050.cif |
|---|---|
| Structure factors | 2012050.hkl |
| Original IUCr paper | HTML |
| Formula | C30 H24 Fe N3 O3 |
|---|---|
| Calculated formula | C30 H24 Fe N3 O3 |
| SMILES | [Fe]123(Oc4c5[n]1c(ccc5ccc4)C)(Oc1c4[n]2c(ccc4ccc1)C)Oc1c2[n]3c(ccc2ccc1)C |
| Title of publication | (2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes |
| Authors of publication | Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 714 - 716 |
| a | 23.822 ± 0.0003 Å |
| b | 16.0839 ± 0.0003 Å |
| c | 15.6819 ± 0.0003 Å |
| α | 90° |
| β | 123.571 ± 0.001° |
| γ | 90° |
| Cell volume | 5006.31 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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