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Information card for entry 4112232
Preview
| Coordinates | 4112232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound (4).CH2Cl2 |
|---|---|
| Formula | C32 H42 B Cl2 Ir N6 O8 |
| Calculated formula | C31 H40 B Cl0 Ir N6 O8 |
| Title of publication | Isolation of a Stable 1-Iridabicyclo[3.2.0]hepta-1,3,6-triene and Its Reversible Transformation into an Iridacycloheptatriene |
| Authors of publication | Margarita Paneque; Manuel L. Poveda; Nuria Rendón; Kurt Mereiter |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 1610 - 1611 |
| a | 11.0348 ± 0.0006 Å |
| b | 12.5531 ± 0.0007 Å |
| c | 14.0159 ± 0.0008 Å |
| α | 88.743 ± 0.001° |
| β | 75.343 ± 0.001° |
| γ | 87.515 ± 0.001° |
| Cell volume | 1876.43 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0288 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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