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Information card for entry 4318720
Preview
| Coordinates | 4318720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H65 Fe O12.5 P4 S |
|---|---|
| Calculated formula | C28 H48 Fe O12.5 P4 S |
| Title of publication | Precursors to Water-Soluble Dinitrogen Carriers. Synthesis of Water-Soluble Complexes of Iron(II) Containing Water-Soluble Chelating Phosphine Ligands of the Type 1,2-Bis(bis(hydroxyalkyl)phosphino)ethane |
| Authors of publication | Warren K. Miller; John D. Gilbertson; Carmen Leiva-Paredes; Paul R. Bernatis; Timothy J. R. Weakley; David K. Lyon; David R. Tyler |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5453 - 5465 |
| a | 10.023 ± 0.002 Å |
| b | 22.427 ± 0.002 Å |
| c | 17.195 ± 0.003 Å |
| α | 90° |
| β | 100.07 ± 0.01° |
| γ | 90° |
| Cell volume | 3805.6 ± 1.1 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 293 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 | 0.126 |
| Residual factor for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections | 1.99 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.38 |
| 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. |
4318720.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 {}' |
4318720.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318720.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318720.cif |
| 15441 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318720 via cif-deposit CGI script. |
4318720.cif |
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Users of the data should acknowledge the original authors of the
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