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Information card for entry 4089301
Preview
| Coordinates | 4089301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H62 Br2 Fe2 Ni2 O0.75 P4 |
|---|---|
| Calculated formula | C71 H62 Br2 Fe2 Ni2 O0.76 P4 |
| Title of publication | Oxidative Addition of Aryl Electrophiles to a Prototypical Nickel(0) Complex: Mechanism and Structure/Reactivity Relationships |
| Authors of publication | Bajo, Sonia; Laidlaw, Gillian; Kennedy, Alan R.; Sproules, Stephen; Nelson, David J. |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 8 |
| Pages of publication | 1662 |
| a | 24.0416 ± 0.0004 Å |
| b | 13.7277 ± 0.0002 Å |
| c | 18.7831 ± 0.0003 Å |
| α | 90° |
| β | 91.188 ± 0.002° |
| γ | 90° |
| Cell volume | 6197.76 ± 0.17 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238099 (current) | 2019-11-24 | cif/ Adding structures of 4089301, 4089302 via cif-deposit CGI script. |
4089301.cif |
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Users of the data should acknowledge the original authors of the
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