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Information card for entry 7015489
Preview
| Coordinates | 7015489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 B10 Se |
|---|---|
| Calculated formula | C18 H22 B10 Se |
| Title of publication | Synthesis, structural, spectroscopic and electrochemical studies of carborane substituted naphthyl selenides. |
| Authors of publication | Guzyr, Olexandr; Viñas, Clara; Wada, Hideki; Hayashi, Satoko; Nakanishi, Waro; Teixidor, Francesc; Puga, Alberto V.; David, Vasile |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 13 |
| Pages of publication | 3402 - 3411 |
| a | 10.759 ± 0.004 Å |
| b | 14.445 ± 0.003 Å |
| c | 13.734 ± 0.004 Å |
| α | 90° |
| β | 99.32 ± 0.02° |
| γ | 90° |
| Cell volume | 2106.3 ± 1.1 Å3 |
| Cell temperature | 292.2 K |
| Ambient diffraction temperature | 292.2 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 significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0328 |
| Goodness-of-fit parameter for significantly intense reflections | 1.995 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7015489.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
7015489.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015489.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015489.cif |
| 21169 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015488, 7015489 via cif-deposit CGI script. |
7015489.cif |
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Users of the data should acknowledge the original authors of the
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