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Information card for entry 7721048
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| Coordinates | 7721048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 811 C-192-2-1 RhTp(eta4-3,4-(COOtBu)2-1,3-hexadiene) |
|---|---|
| Formula | C25 H36 B N6 O4 Rh |
| Calculated formula | C25 H36 B N6 O4 Rh |
| Title of publication | Experimental and theoretical studies on the (co)cyclotrimerization of alkynes (and ethylene) in a TpRh compound |
| Authors of publication | Bottari, Giovanni; Moreno, Juan J.; Salazar, Verónica; Campos, Jesús; Mereiter, Kurt; Rendón, Nuria; Cerón-Castelán, Jesus Emmanuel; Lopez-Serrano, Joaquin; Paneque, Margarita; Santos, Laura L. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 8.9717 ± 0.0005 Å |
| b | 8.9893 ± 0.0005 Å |
| c | 17.3228 ± 0.0009 Å |
| α | 84.085 ± 0.002° |
| β | 86.363 ± 0.002° |
| γ | 79.803 ± 0.002° |
| Cell volume | 1366.23 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.029 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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