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Information card for entry 2017850
Preview
| Coordinates | 2017850.cif |
|---|---|
| Structure factors | 2017850.hkl |
| Original IUCr paper | HTML |
| Common name | Δ(-)~578~-bis(en)[(S-Asp(OEt)O)]cobalt(III) perchlorate monohydrate |
|---|---|
| Chemical name | Δ(-)~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) bis(perchlorate) monohydrate |
| Formula | C10 H28 Cl2 Co N5 O13 |
| Calculated formula | C10 H28 Cl2 Co N5 O13 |
| Title of publication | Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate |
| Authors of publication | Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m319 - m322 |
| a | 9.2898 ± 0.0003 Å |
| b | 9.2898 ± 0.0003 Å |
| c | 48.9696 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4226.1 ± 0.2 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0608 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (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 2/01/78. |
2017850.cif 2017850.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017850.cif 2017850.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017850.cif 2017850.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. | 2017850.cif 2017850.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017850.cif 2017850.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017850.cif 2017850.hkl |
| 4158 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017850 via cif-deposit CGI script. |
2017850.cif |
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