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Information card for entry 7112334
Preview
| Coordinates | 7112334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H44 B Cl Fe N2 O2 |
|---|---|
| Calculated formula | C35 H44 B Cl Fe N2 O2 |
| SMILES | [Fe]1234(C#[O])(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)B(Cl)N(C(=C\C(=N/c1c(C)cc(C)cc1C)C)\C)c1c(C)cc(C)cc1C |
| 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 | 13.9947 ± 0.0002 Å |
| b | 16.4994 ± 0.0002 Å |
| c | 14.7643 ± 0.0002 Å |
| α | 90° |
| β | 95.8847 ± 0.0006° |
| γ | 90° |
| Cell volume | 3391.17 ± 0.08 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 | 0.086 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for all reflections | 0.1316 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9605 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7108847 |
| 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. |
7112334.cif |
| 180237 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/23. |
7112334.cif |
| 110024 | 2014-04-18 | cif/ Adding structures of 7112333, 7112334, 7112335 via cif-deposit CGI script. |
7112334.cif |
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