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Information card for entry 2239119
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| Coordinates | 2239119.cif |
|---|---|
| Structure factors | 2239119.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-(Bromomercurio)ferrocene |
|---|---|
| Formula | C10 H9 Br Fe Hg |
| Calculated formula | C10 H9 Br Fe Hg |
| Title of publication | 1-(Bromomercurio)ferrocene |
| Authors of publication | Breunig, Jens M.; Lerner, Hans-Wolfram; Bats, Jan W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | m13 |
| a | 7.6484 ± 0.0014 Å |
| b | 9.5715 ± 0.0017 Å |
| c | 14.394 ± 0.003 Å |
| α | 75.12 ± 0.012° |
| β | 87.548 ± 0.012° |
| γ | 83.298 ± 0.012° |
| Cell volume | 1011.4 ± 0.3 Å3 |
| Cell temperature | 166 ± 2 K |
| Ambient diffraction temperature | 166 ± 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 | 0.0449 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239119.cif 2239119.hkl |
| 181310 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/91. |
2239119.cif 2239119.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239119.cif 2239119.hkl |
| 105008 | 2014-03-11 | cif/ hkl/ Adding structures of 2239119 via cif-deposit CGI script. |
2239119.cif 2239119.hkl |
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Users of the data should acknowledge the original authors of the
structural data.