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Information card for entry 4089307
Preview
| Coordinates | 4089307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound 3Me2b |
|---|---|
| Formula | C24 H31 B N8 O2 Pd |
| Calculated formula | C24 H31 B N8 O2 Pd |
| SMILES | [Pd]1(N=C=CC(=O)OC)([n]2n(c(cc2C)C)[BH](n2[n]1c(cc2C)C)n1nc(cc1C)C)[n]1ccccc1 |
| Title of publication | N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds |
| Authors of publication | Kujime, Masato; Hikichi, Shiro; Akita, Munetaka |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 19 |
| Pages of publication | 4049 |
| a | 13.0558 ± 0.0006 Å |
| b | 14.3339 ± 0.0008 Å |
| c | 14.8052 ± 0.0008 Å |
| α | 90° |
| β | 95.885 ± 0.002° |
| γ | 90° |
| Cell volume | 2756.1 ± 0.2 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1456 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.224 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244973 (current) | 2019-12-11 | cif/4/08/93/ Corrected the values of the '_diffrn_radiation_type' and '_refine_ls_weighting_details' data items in entries 4089306-4089311 by replacing a sequence of malformed symbols with the backslash symbol ('\') after consulting the original publication. |
4089307.cif |
| 243607 | 2019-11-26 | cif/ Adding structures of 4089306, 4089307, 4089308, 4089309, 4089310, 4089311 via cif-deposit CGI script. |
4089307.cif |
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Users of the data should acknowledge the original authors of the
structural data.