Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7108848
Preview
| Coordinates | 7108848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H56 B2 F24 Fe N2 O2 |
|---|---|
| Calculated formula | C67 H56 B2 F24 Fe N2 O2 |
| 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 | 12.1918 ± 0.0003 Å |
| b | 16.3393 ± 0.0004 Å |
| c | 17.0192 ± 0.0005 Å |
| α | 87.9149 ± 0.0009° |
| β | 87.6232 ± 0.0009° |
| γ | 78.9774 ± 0.001° |
| Cell volume | 3323.51 ± 0.15 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1026 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections | 0.1827 |
| Weighted residual factors for significantly intense reflections | 0.1546 |
| Weighted residual factors for all reflections included in the refinement | 0.1827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8912 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7108848.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. |
7108848.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7108848.cif |
| 72812 | 2013-01-31 | cif/ Adding structures of 7108846, 7108847, 7108848 via cif-deposit CGI script. |
7108848.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.