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Information card for entry 4088985
Preview
| Coordinates | 4088985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H54 B F24 Ir N O7 P |
|---|---|
| Calculated formula | C58 H54 B F24 Ir N O7 P |
| Title of publication | Modulating the Elementary Steps of Methanol Carbonylation by Bridging the Primary and Secondary Coordination Spheres |
| Authors of publication | Gregor, Lauren C.; Grajeda, Javier; Kita, Matthew R.; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 17 |
| Pages of publication | 3074 |
| a | 18.2346 ± 0.0007 Å |
| b | 17.6765 ± 0.0006 Å |
| c | 37.7548 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12169.3 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237909 (current) | 2019-11-24 | cif/ Adding structures of 4088983, 4088984, 4088985 via cif-deposit CGI script. |
4088985.cif |
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Users of the data should acknowledge the original authors of the
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