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Information card for entry 4071323
Preview
| Coordinates | 4071323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H24 B Cl2 Hf N |
|---|---|
| Calculated formula | C15 H24 B Cl2 Hf N |
| SMILES | [Hf]12345678(Cl)(Cl)([N]9([B]3([CH]6=[C]1([CH]5=9)C)C)C)[c]1([c]8([cH]7[c]2([c]41C)C)C)C |
| Title of publication | Anionic Multisubstituted 1,2-Azaborolyl Ligands: Syntheses, Characterization, and Coordination Chemistry |
| Authors of publication | Fang, Xiangdong; Assoud, Jalil |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 11 |
| Pages of publication | 2408 |
| a | 8.7643 ± 0.0008 Å |
| b | 13.545 ± 0.0012 Å |
| c | 15.1449 ± 0.0013 Å |
| α | 90° |
| β | 105.048 ± 0.002° |
| γ | 90° |
| Cell volume | 1736.2 ± 0.3 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0181 |
| Residual factor for significantly intense reflections | 0.0161 |
| Weighted residual factors for significantly intense reflections | 0.0387 |
| Weighted residual factors for all reflections included in the refinement | 0.04 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.897 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178602 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13. |
4071323.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4071323.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071323.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071323.cif |
| 43152 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071323 via cif-deposit CGI script. |
4071323.cif |
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Users of the data should acknowledge the original authors of the
structural data.