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Information card for entry 4077675
Preview
| Coordinates | 4077675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50.75 H38 Cl3.5 Fe2 Ti |
|---|---|
| Calculated formula | C50.75 H38 Cl3.5 Fe2 Ti |
| Title of publication | New Face-To-Face Metallocene Triads |
| Authors of publication | Hudson, Richard D. A.; Foxman, Bruce M.; Rosenblum, Myron |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 4 |
| Pages of publication | 469 |
| a | 10.5712 ± 0.0017 Å |
| b | 15.2271 ± 0.0016 Å |
| c | 15.605 ± 0.003 Å |
| α | 79.574 ± 0.012° |
| β | 74.864 ± 0.017° |
| γ | 71.81 ± 0.01° |
| Cell volume | 2290 ± 0.7 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0951 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Goodness-of-fit parameter for significantly intense reflections | 0.9852 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190534 (current) | 2017-01-15 | cif/ (antanas@kurmis) Correcting the _chemical_formula_sum data item values in entries 4029572, 4077675, 4321680, 7027199, 7027200, 7114736. |
4077675.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4077675.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 {}' |
4077675.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077675.cif |
| 54663 | 2012-04-28 | cif/ Adding structures of 4077675 via cif-deposit CGI script. |
4077675.cif |
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