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Information card for entry 7112333
Preview
| Coordinates | 7112333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H34 B Cl Fe N2 O2 |
|---|---|
| Calculated formula | C25 H34 B Cl Fe N2 O2 |
| SMILES | [Fe]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C#[O])(C#[O])[B]1(Cl)[N](C(C)C)=C(N1C(C)C)c1ccccc1 |
| Title of publication | Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis |
| Authors of publication | Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 15 |
| Pages of publication | 1509 - 1511 |
| a | 12.306 ± 0.0001 Å |
| b | 15.6594 ± 0.0002 Å |
| c | 13.3532 ± 0.0002 Å |
| α | 90° |
| β | 92.9406 ± 0.0006° |
| γ | 90° |
| Cell volume | 2569.83 ± 0.05 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for all reflections | 0.1039 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7108846 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210727 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7108846-7108848, 7112333-7112335. Marking entries 7112333-7112335 as duplicates of entries 7108846-7108848. |
7112333.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7112333.cif |
| 110024 | 2014-04-18 | cif/ Adding structures of 7112333, 7112334, 7112335 via cif-deposit CGI script. |
7112333.cif |
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Users of the data should acknowledge the original authors of the
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