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Information card for entry 7009903
Preview
| Coordinates | 7009903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cp(Me)5-Rh-Br3-Re-(CO)3 |
|---|---|
| Formula | C13 H15 Br3 O3 Re Rh |
| Calculated formula | C13 H15 Br3 O3 Re Rh |
| SMILES | [Rh]123456([Br][Re]([Br]1)([Br]2)(C#[O])(C#[O])C#[O])[c]1([c]3([c]4([c]6([c]51C)C)C)C)C |
| 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 | 9.6576 ± 0.0008 Å |
| b | 14.8986 ± 0.0017 Å |
| c | 12.307 ± 0.001 Å |
| α | 90° |
| β | 90.434 ± 0.01° |
| γ | 90° |
| Cell volume | 1770.7 ± 0.3 Å3 |
| Cell temperature | 200 ± 3 K |
| Ambient diffraction temperature | 200 ± 3 K |
| Number of distinct elements | 6 |
| 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 | 0.0374 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0547 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| 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. |
7009903.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' |
7009903.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009903.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009903.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009903.cif |
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