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Information card for entry 4070074
Preview
| Coordinates | 4070074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H68 Mo4 O10 P4 S6 W2 |
|---|---|
| Calculated formula | C57 H68 Mo4 O10 P4 S6 W2 |
| Title of publication | Isomerism and Ligand Rearrangement within thecyclo-P2S3Middle Deck in Dimolybdenum Triple-Decker Complexes |
| Authors of publication | Gröger, Christian; Kubicki, Marek M.; Meier, Walter; Pronold, Michael; Wachter, Joachim; Zabel, Manfred |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 19 |
| Pages of publication | 5633 |
| a | 14.7163 ± 0.0016 Å |
| b | 22.2865 ± 0.0017 Å |
| c | 21.587 ± 0.002 Å |
| α | 90° |
| β | 103.909 ± 0.012° |
| γ | 90° |
| Cell volume | 6872.4 ± 1.2 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178589 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/00. |
4070074.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' |
4070074.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070074.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070074.cif |
| 40586 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070074 via cif-deposit CGI script. |
4070074.cif |
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Users of the data should acknowledge the original authors of the
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