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Information card for entry 4311961
Preview
| Coordinates | 4311961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H48 F3.3 N8 O5.8 P0.55 Re1.45 |
|---|---|
| Calculated formula | C28 H48 F3.3 N8 O5.8 P0.55 Re1.45 |
| Title of publication | Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes |
| Authors of publication | Theresa I. Kückmann; Ulrich Abram |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7068 - 7074 |
| a | 10.309 ± 0.002 Å |
| b | 20.142 ± 0.003 Å |
| c | 18.763 ± 0.003 Å |
| α | 90° |
| β | 95.63 ± 0.02° |
| γ | 90° |
| Cell volume | 3877.2 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1058 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1417 |
| Weighted residual factors for all reflections included in the refinement | 0.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4311961.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' |
4311961.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311961.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311961.cif |
| 3463 | 2010-11-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4311961 via cif-deposit CGI script. |
4311961.cif |
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Users of the data should acknowledge the original authors of the
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