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Information card for entry 4319026
Preview
| Coordinates | 4319026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H32 B2 F8 Fe4 |
|---|---|
| Calculated formula | C28 H32 B2 F8 Fe4 |
| Title of publication | Synthesis and Structures of One- and Two-Electron Oxidized Forms of Bis(acetylene)tetrairon Clusters Cp'4Fe4(HCCH)2 (Cp' = Cp,η5-C5H4Me) |
| Authors of publication | Masaaki Okazaki; Takeo Ohtani; Masato Takano; Hiroshi Ogino |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 6726 - 6730 |
| a | 18.678 ± 0.002 Å |
| b | 17.604 ± 0.002 Å |
| c | 17.072 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5613.4 ± 1.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 423.2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.0582 |
| Weighted residual factors for all reflections included in the refinement | 0.0582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.23 |
| Diffraction radiation wavelength | 0.7107 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. |
4319026.cif |
| 134283 | 2015-03-24 | cif/ (antanas@echidna.ibt.lt) Replaced '_reflns_observed_expression', '_atom_type_scat_imag' and '_atom_site_calc_flags' tags with their correct tag counterparts ('_reflns_threshold_expression', '_atom_type_scat_dispersion_imag', '_atom_site_calc_flag'). The following command was used on the CIFs containing the tags: xargs -n1 -I{} sh -c 'cif_correct_tags --r cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst {} | cif_filter -h {} | sponge {}' A total of 124 files were changed. |
4319026.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319026.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319026.cif |
| 15754 | 2011-03-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4319026 via cif-deposit CGI script. |
4319026.cif |
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Users of the data should acknowledge the original authors of the
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