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Information card for entry 7009901
Preview
| Coordinates | 7009901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (CO)3Re(BR3)Ru(C12H18) |
|---|---|
| Formula | C15 H18 Br3 O3 Re Ru |
| Calculated formula | C15 H18 Br3 O3 Re Ru |
| SMILES | [Re]12([Br][Ru]34567([Br]1)([Br]2)[c]1(CC)[cH]3[c]4(CC)[cH]5[c]6([cH]71)CC)(C#[O])(C#[O])C#[O] |
| Title of publication | Heterometallic bromo-bridged complexes with a Re(CO)3 fragment |
| Authors of publication | da Silva, Ana C.; Piotrowski, Holger; Mayer, Peter; Polborn, Kurt; Severin, Kay |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 17 |
| Pages of publication | 2960 |
| a | 8.9917 ± 0.0009 Å |
| b | 10.5637 ± 0.0011 Å |
| c | 10.9076 ± 0.0011 Å |
| α | 111.142 ± 0.011° |
| β | 91.8 ± 0.012° |
| γ | 96.043 ± 0.012° |
| Cell volume | 958.26 ± 0.19 Å3 |
| Cell temperature | 200 ± 3 K |
| Ambient diffraction temperature | 200 ± 3 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179803 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/99. |
7009901.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7009901.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009901.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009901.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009901.cif |
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Users of the data should acknowledge the original authors of the
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