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Information card for entry 7053687
Preview
| Coordinates | 7053687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H52 Fe N4 Si5 |
|---|---|
| Calculated formula | C31 H52 Fe N4 Si5 |
| SMILES | [Fe]1([n]2cccc3cccc([Si](c4cccc5cccnc45)(C)[H]1)c23)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | (MeQn2SiH)Fe[N(SiMe3)2]2 (Qn = 8-quinolyl): an unusual δ-agostic iron complex containing an η1-SiH interaction |
| Authors of publication | Yang, Jian; Fasulo, Meg; Tilley, T. Don |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2010 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2528 |
| a | 11.3439 ± 0.0008 Å |
| b | 11.723 ± 0.0008 Å |
| c | 14.6618 ± 0.001 Å |
| α | 86.754 ± 0.001° |
| β | 85.828 ± 0.001° |
| γ | 83.068 ± 0.001° |
| Cell volume | 1928.2 ± 0.2 Å3 |
| Cell temperature | 138 ± 2 K |
| Ambient diffraction temperature | 138 ± 2 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 all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.447 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180090 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/36. |
7053687.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 {}' |
7053687.cif |
| 93755 | 2014-01-13 | cif/ Adding structures of 7053687 via cif-deposit CGI script. |
7053687.cif |
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Users of the data should acknowledge the original authors of the
structural data.