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Information card for entry 4089319
Preview
| Coordinates | 4089319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H46 I O3 P2 Rh Si |
|---|---|
| Calculated formula | C42 H46 I O3 P2 Rh Si |
| SMILES | I[RhH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](OCC)(OCC)OCC |
| Title of publication | Structure and Properties of Halogeno(hydrido)(triorganosilyl)rhodium(III) Complexes, RhX(H)(SiR1nR23-n)(PPh3)2(X = Cl, I; R1= OSiMe3, OEt, R2= Me). Influence of the Alkoxy Groups and Halo Ligand on Stability and Reactivity of the Complexes |
| Authors of publication | Nishihara, Yasushi; Takemura, Miwa; Osakada, Kohtaro |
| Journal of publication | Organometallics |
| Year of publication | 2002 |
| Journal volume | 21 |
| Journal issue | 5 |
| Pages of publication | 825 |
| a | 13.171 ± 0.003 Å |
| b | 13.706 ± 0.003 Å |
| c | 12.637 ± 0.002 Å |
| α | 112.62 ± 0.01° |
| β | 101.99 ± 0.02° |
| γ | 88.5 ± 0.02° |
| Cell volume | 2056.2 ± 0.8 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections | 0.03 |
| Weighted residual factors for all reflections included in the refinement | 0.03 |
| Goodness-of-fit parameter for all reflections | 1.652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.65 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244975 (current) | 2019-12-11 | cif/4/08/93/ Corrected the values of the '_diffrn_radiation_type', '_exptl_absorpt_correction_type', '_reflns_threshold_expression' and '_refine_ls_weighting_details' data items in entries 4089318-4089320 by replacing a sequence of malformed symbols with the backslash symbol ('\') after consulting the original publication. |
4089319.cif |
| 243609 | 2019-11-26 | cif/ Adding structures of 4089318, 4089319, 4089320 via cif-deposit CGI script. |
4089319.cif |
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Users of the data should acknowledge the original authors of the
structural data.