Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7015646
7015645 << 7015646 >> 7015647Preview
|
Coordinates |
7015646.cif |
Structure parameters
| Common name | ((mu!3$-imido)(mu!3$-oxo)tris(eta$5!- pentamethylcyclopentadienyliridium(iii))) triflate |
| Chemical name | [(\m~3~-imido)(\m~3~-oxo)tris(\h^5^-pentamethylcyclopentadienyliridium(iii))] triflate |
| Formula | - C36 H54 F6 Ir3 N O7 S2 - |
| Calculated formula | - C36 H54 F6 Ir3 N O7 S2 - |
| Title of publication | Synthesis and X-ray crystal structure of a novel organometallic (μ3-oxido)(μ3-imido) trinuclear iridium complex. |
| Authors of publication | Schau-Magnussen, Magnus; Malcho, Phillip; Herbst, Konrad; Brorson, Michael; Bendix, Jesper |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 16 |
| Pages of publication | 4212 - 4216 |
| a | 21.513 ± 0.0008 Å |
| b | 13.535 ± 0.003 Å |
| c | 14.3094 ± 0.0014 Å |
| α | 90° |
| β | 93.085 ± 0.009° |
| γ | 90° |
| Cell volume | 4160.6 ± 1 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | C 1 2/m 1 |
| Hall symmetry space group | -C 2y |
| Residual factor for all reflections | 0.0368 |
| Residual factor for observed reflections | 0.0291 |
| Weighted residual factors for the observed reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for observed reflections | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |