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Information card for entry 2018176
Preview
| Coordinates | 2018176.cif |
|---|---|
| Structure factors | 2018176.hkl |
| Original IUCr paper | HTML |
| Chemical name | bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>- bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) tetrabromidoferrate(II) |
|---|---|
| Formula | C56 H56 Br4 Fe2 N4 P4 |
| Calculated formula | C56 H56 Br4 Fe2 N4 P4 |
| Title of publication | The bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) tetrabromidoferrate(II) and μ-oxido-bis[tribromidoferrate(III)] complex salts |
| Authors of publication | Maithufi, Norah; Otto, Stefanus |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m279 - m283 |
| a | 11.4596 ± 0.001 Å |
| b | 21.834 ± 0.002 Å |
| c | 23.905 ± 0.002 Å |
| α | 114.399 ± 0.001° |
| β | 96.285 ± 0.001° |
| γ | 90.388 ± 0.001° |
| Cell volume | 5405.4 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018176.cif 2018176.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2018176.cif 2018176.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018176.cif 2018176.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018176.cif 2018176.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2018176.cif 2018176.hkl |
| 26992 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2018176, 2018177 via cif-deposit CGI script. |
2018176.cif |
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Users of the data should acknowledge the original authors of the
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