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Information card for entry 4304415
Preview
| Coordinates | 4304415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H102 N14 O5 Ta6 |
|---|---|
| Calculated formula | C100 H102 N14 O5 Ta6 |
| SMILES | [Ta]1234([O]5678[Ta]9%10%11(=Nc%12ccccc%12)[N]1([Ta]1%125(=Nc5ccccc5)[N]%10([Ta]5%106(=Nc6ccccc6)[N]6([Ta]7([N]31c1ccccc1)(=Nc1ccccc1)([N]%125c1ccccc1)[N]4([Ta]86([N]29c1ccccc1)(=Nc1ccccc1)[N]%11%10c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)=Nc1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Oxygen-Centered Hexatantalum Tetradecaimido Cluster Complexes |
| Authors of publication | Jamin L. Krinsky; Laura L. Anderson; John Arnold; Robert G. Bergman |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 1053 - 1066 |
| a | 13.6126 ± 0.0017 Å |
| b | 13.8895 ± 0.0017 Å |
| c | 14.0722 ± 0.0017 Å |
| α | 89.991 ± 0.002° |
| β | 76.981 ± 0.002° |
| γ | 61.835 ± 0.002° |
| Cell volume | 2267.8 ± 0.5 Å3 |
| Cell temperature | 155 ± 2 K |
| Ambient diffraction temperature | 155 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0726 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179082 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/44. |
4304415.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304415.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304415.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304415.cif |
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