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Information card for entry 2104983
Preview
| Coordinates | 2104983.cif |
|---|---|
| Structure factors | 2104983.hkl |
| Original IUCr paper | HTML |
| Formula | C24 H46 N Ta |
|---|---|
| Calculated formula | C24 H46 N Ta |
| SMILES | [Ta]1234(=NC(C)(C)C)(CC(C)(C)C)(CC(C)(C)C)[c]5([c]3([c]4([c]2([c]51C)C)C)C)C |
| Title of publication | Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol |
| Authors of publication | Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | 416 - 424 |
| a | 9.083 ± 0.002 Å |
| b | 16.216 ± 0.003 Å |
| c | 16.872 ± 0.003 Å |
| α | 90° |
| β | 99.76 ± 0.03° |
| γ | 90° |
| Cell volume | 2449.1 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0568 |
| Weighted residual factors for all reflections included in the refinement | 0.0636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180908 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/49. |
2104983.cif 2104983.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2104983.cif 2104983.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104983.cif 2104983.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2104983.cif 2104983.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2104983.cif 2104983.hkl |
| 29419 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2104982, 2104983, 2104984, 2104985 via cif-deposit CGI script. |
2104983.cif |
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Users of the data should acknowledge the original authors of the
structural data.