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Information card for entry 4066753
Preview
| Coordinates | 4066753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H38 Co2 O10 P2 |
|---|---|
| Calculated formula | C46 H38 Co2 O10 P2 |
| SMILES | C(#[O])[Co]12(C#[O])([P](Oc3ccccc3)(Oc3ccccc3)Oc3ccccc3)[CH2]=[C]1([C]13=[CH2][Co]3(C#[O])(C#[O])(C1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)C2 |
| Title of publication | Synthesis, Structure, and Ligand Exchange Reactions of Tetramethyleneethane Complexes of Cobalt |
| Authors of publication | Aguirre-Etcheverry, Paulina; Ashley, Andrew E.; Balázs, Gábor; Green, Jennifer C.; Cowley, Andrew R.; Thompson, Amber L.; O’Hare, Dermot |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 5847 |
| a | 9.454 ± 0.0001 Å |
| b | 18.3056 ± 0.0003 Å |
| c | 12.1477 ± 0.0002 Å |
| α | 90° |
| β | 95.761 ± 0.001° |
| γ | 90° |
| Cell volume | 2091.68 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| 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 |
|---|---|---|---|
| 178559 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/67. |
4066753.cif |
| 171422 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with the multiline value '.' from multiple entries. |
4066753.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4066753.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066753.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066753.cif |
| 33973 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066747, 4066748, 4066749, 4066750, 4066751, 4066752, 4066753, 4066754 via cif-deposit CGI script. |
4066753.cif |
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