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Information card for entry 4072242
Preview
| Coordinates | 4072242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H55 F3 N2 O16 S Ta2 |
|---|---|
| Calculated formula | C43 H55 F3 N2 O16 S Ta2 |
| SMILES | [Ta]12345678([OH][Ta]9%10%11%12%13%14([n]%15c(C(=O)O%10)cccc%15C(=O)O%11)([OH]3)([OH]4)[c]3([c]%12([c]%13([c]%14([c]93C)C)C)C)C)([n]3c(C(=O)O2)cccc3C(=O)O1)[c]1([c]6([c]7([c]8([c]51C)C)C)C)C.C(S(=O)(=O)[O-])(F)(F)F.O1CCCC1.O1CCCC1 |
| Title of publication | Oxo and Hydroxo Organometallic Complexes of Tantalum: Soluble Molecular Models of Tantalum Oxide |
| Authors of publication | Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 23 |
| Pages of publication | 6090 |
| a | 16.414 ± 0.003 Å |
| b | 13.115 ± 0.002 Å |
| c | 22.553 ± 0.004 Å |
| α | 90° |
| β | 106.737 ± 0.003° |
| γ | 90° |
| Cell volume | 4649.3 ± 1.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 | 0.1177 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178611 (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 4/07/22. |
4072242.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072242.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072242.cif |
| 44302 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072239, 4072240, 4072241, 4072242 via cif-deposit CGI script. |
4072242.cif |
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Users of the data should acknowledge the original authors of the
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