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Information card for entry 1100139
Preview
| Coordinates | 1100139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H37 Au Br4 N12 O9 |
|---|---|
| Calculated formula | C27 H30 Au Br4 N12 O9 |
| Authors of publication | Esther R. Acuna-Cueva; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros |
| Journal of publication | Structural Chemistry |
| Year of publication | 2004 |
| Journal volume | 15 |
| Pages of publication | 159 - 163 |
| a | 11.3215 ± 0.001 Å |
| b | 11.908 ± 0.002 Å |
| c | 16.4596 ± 0.0014 Å |
| α | 71.538 ± 0.017° |
| β | 71.675 ± 0.007° |
| γ | 78.681 ± 0.013° |
| Cell volume | 1986.6 ± 0.5 Å3 |
| Cell temperature | 295 ± 1 K |
| Ambient diffraction temperature | 295 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1194 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.2346 |
| Weighted residual factors for all reflections included in the refinement | 0.2771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100139.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1100139.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100139.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1100139.cif |
| 178 | 2008-02-25 | 12 files corrected. |
1100139.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1100139.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100139.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1100139.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1100139.cif |
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Users of the data should acknowledge the original authors of the
structural data.