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Information card for entry 4317545
Preview
| Coordinates | 4317545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H5 Fe O4 P |
|---|---|
| Calculated formula | C H5 Fe O4 P |
| Title of publication | X-ray Single-Crystal Structure and Magnetic Properties of Fe[CH3PO3)].H2O: A Layered Weak Ferromagnet |
| Authors of publication | Carlo Bellitto; Fulvio Federici; Marcello Colapietro; Gustavo Portalone; Daniela Caschera |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 709 - 714 |
| a | 17.538 ± 0.002 Å |
| b | 4.814 ± 0.0009 Å |
| c | 5.719 ± 0.001 Å |
| α | 90 ± 0° |
| β | 90 ± 0° |
| γ | 90 ± 0° |
| Cell volume | 482.84 ± 0.14 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0363 |
| Weighted residual factors for all reflections | 0.0516 |
| Goodness-of-fit parameter for all reflections | 0.985 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192276 (current) | 2017-02-19 | cif/4/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '.' to '1' for all fully occupied atom sites in entries 4020333, 4022067, 4024209, 4024679, 4024681, 4024682, 4025244, 4100722, 4101910, 4303140, 4303141, 4303739, 4305417, 4305418, 4308230, 4308235, 4312548, 4313400, 4313401, 4313402, 4317545, 4317905, 4319035, 4319139, 4319140, 4319141, 4319142, 4321031, 4321032, 4321034, 4321035, 4321036, 4321037, 4321038, 4321902, 4322606, 4322699, 4324063, 4324064, 4324065. |
4317545.cif |
| 192163 | 2017-02-15 | cif/4/31/75/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entry 4317545. |
4317545.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. |
4317545.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4317545.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317545.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317545.cif |
| 13820 | 2011-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4317545 via cif-deposit CGI script. |
4317545.cif |
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