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Information card for entry 7029242
Preview
| Coordinates | 7029242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H21 B F2 N2 O2 |
|---|---|
| Calculated formula | C19 H21 B F2 N2 O2 |
| SMILES | F[B]1(F)N(C(=CC(=[N]1c1c(cccc1)OC)C)C)c1c(cccc1)OC |
| Title of publication | Hydrogen-bond-supported dimeric boron complexes of potentially tetradentate β-diketiminate ligands. |
| Authors of publication | Barbon, Stephanie M.; Staroverov, Viktor N.; Boyle, Paul D.; Gilroy, Joe B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 1 |
| Pages of publication | 240 - 250 |
| a | 19.011 ± 0.004 Å |
| b | 14.07 ± 0.003 Å |
| c | 15.684 ± 0.004 Å |
| α | 90° |
| β | 120.772 ± 0.007° |
| γ | 90° |
| Cell volume | 3604.6 ± 1.4 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| 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 | 0.0855 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029242.cif |
| 179998 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92. |
7029242.cif |
| 105553 | 2014-03-12 | cif/ Adding structures of 7029242, 7029243 via cif-deposit CGI script. |
7029242.cif |
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Users of the data should acknowledge the original authors of the
structural data.