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CIF Information Card
Information card for 7108642
7108641 << 7108642 >> 7108643Preview
|
Coordinates |
7108642.cif |
Structure parameters
| Formula | - C48 H50 Ir N3 O - |
| Calculated formula | - C48 H50 Ir N3 O - |
| Title of publication | Iridium(III) azuliporphyrins |
| Authors of publication | Gregory M. Ferrence; Timothy D. Lash; Komal Pokharel; Matthias Zeller |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 11793 |
| a | 13.01 ± 0.003 Å |
| b | 15.894 ± 0.003 Å |
| c | 18.593 ± 0.004 Å |
| α | 90° |
| β | 93.258 ± 0.003° |
| γ | 90° |
| Cell volume | 3838.5 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1003 |
| Residual factor for observed reflections | 0.0553 |
| Weighted residual factors for the observed reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for observed reflections | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |