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Information card for entry 7713765
Preview
| Coordinates | 7713765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H20 B2 Cl4 O4 Ti |
|---|---|
| Calculated formula | C10 H20 B2 Cl4 O4 Ti |
| SMILES | [Ti]1(Cl)(Cl)(Cl)(Cl)[O]2CC(COB2B2[O]1CC(CO2)(C)C)(C)C |
| Title of publication | Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes |
| Authors of publication | Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 13.1002 ± 0.0015 Å |
| b | 14.9056 ± 0.0016 Å |
| c | 18.441 ± 0.002 Å |
| α | 90° |
| β | 93.31 ± 0.004° |
| γ | 90° |
| Cell volume | 3594.9 ± 0.7 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0732 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1427 |
| Weighted residual factors for all reflections included in the refinement | 0.1548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285840 (current) | 2023-08-23 | cif/ Adding structures of 7713765, 7713766, 7713767, 7713768, 7713769, 7713770 via cif-deposit CGI script. |
7713765.cif |
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Users of the data should acknowledge the original authors of the
structural data.