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Information card for entry 7110512
Preview
| Coordinates | 7110512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H10 Fe2 O9 S2 W |
|---|---|
| Calculated formula | C19 H10 Fe2 O9 S2 W |
| Title of publication | Synthesis and structures of heterometallic trinuclear clusters [CpFe(CO)2]2(μ3-S2)W(CO)5 and Cp2Fe2(CO)3(μ-CO)(μ3-S)W(CO)5 and kinetic study of migration of the W(CO)5 moiety in the disulfido complex |
| Authors of publication | Kuge, Katsuaki; Tobita, Hiromi; Ogino, Hiroshi |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 12 |
| Pages of publication | 1061 |
| a | 17.174 ± 0.006 Å |
| b | 7.096 ± 0.004 Å |
| c | 19.452 ± 0.004 Å |
| α | 90° |
| β | 92.26 ± 0.02° |
| γ | 90° |
| Cell volume | 2368.7 ± 1.6 Å3 |
| Cell temperature | 293.2 K |
| Ambient diffraction temperature | 293.2 K |
| Number of distinct elements | 6 |
| 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections included in the refinement | 0.0437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7110512.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. |
7110512.cif |
| 95297 | 2014-01-28 | cif/ Adding structures of 7110512, 7110513 via cif-deposit CGI script. |
7110512.cif |
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Users of the data should acknowledge the original authors of the
structural data.