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Information card for entry 2231465
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| Coordinates | 2231465.cif |
|---|---|
| Structure factors | 2231465.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Diaquabis(DL-valinato-κ^2^<i>N</i>,<i>O</i>)nickel(II) |
|---|---|
| Formula | C10 H22 N2 Ni O6 |
| Calculated formula | C10 H22 N2 Ni O6 |
| SMILES | C1(=O)C(C(C)C)=[NH][Ni]2(O1)([OH2])([NH]=C(C(=O)O2)C(C)C)[OH2] |
| Title of publication | <i>trans</i>-Diaquabis(<small>DL</small>-valinato-κ^2^<i>N</i>,<i>O</i>)nickel(II) |
| Authors of publication | Messai, Amel; Benali-Cherif, Rim; Jeanneau, Erwann; Benali-Cherif, Nourredine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1204 |
| a | 24.8881 ± 0.0002 Å |
| b | 5.8701 ± 0.0003 Å |
| c | 10.0789 ± 0.0002 Å |
| α | 90° |
| β | 90.442 ± 0.003° |
| γ | 90° |
| Cell volume | 1472.44 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1449 |
| Weighted residual factors for all reflections included in the refinement | 0.1507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181236 (current) | 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 2/23/14. |
2231465.cif 2231465.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. |
2231465.cif 2231465.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231465.cif 2231465.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. | 2231465.cif 2231465.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231465.cif 2231465.hkl |
| 27590 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231465 via cif-deposit CGI script. |
2231465.cif |
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Users of the data should acknowledge the original authors of the
structural data.