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Information card for entry 4060552
Preview
| Coordinates | 4060552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H54 N5 Rh |
|---|---|
| Calculated formula | C64 H54 N5 Rh |
| SMILES | [Rh]123(CCN(Cc4ccccc4)Cc4ccccc4)[N]4=C5C(=C6C=CC(=C(C7C=CC(=C(C8=CC=C(C(=C4C=C5)c4ccc(cc4)C)N18)c1ccc(cc1)C)[N]2=7)c1ccc(cc1)C)N36)c1ccc(cc1)C |
| Title of publication | 1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls |
| Authors of publication | Yeung, Siu Kwan; Chan, Kin Shing |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 11 |
| Pages of publication | 2561 - 2563 |
| a | 13.838 ± 0.003 Å |
| b | 27.97 ± 0.006 Å |
| c | 15.52 ± 0.003 Å |
| α | 90° |
| β | 96.2 ± 0.03° |
| γ | 90° |
| Cell volume | 5972 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1063 |
| Residual factor for significantly intense reflections | 0.0827 |
| Weighted residual factors for significantly intense reflections | 0.219 |
| Weighted residual factors for all reflections included in the refinement | 0.2377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.