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Information card for entry 2228108
Preview
| Coordinates | 2228108.cif |
|---|---|
| Structure factors | 2228108.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>R</i>)-2-Methylpiperazine-1,4-diium diaquatetrachloridoferrate(II) |
|---|---|
| Formula | C5 H18 Cl4 Fe N2 O2 |
| Calculated formula | C5 H18 Cl4 Fe N2 O2 |
| SMILES | [Fe](Cl)(Cl)(Cl)(Cl)([OH2])[OH2].[NH2+]1[C@@H](C[NH2+]CC1)C |
| Title of publication | (<i>R</i>)-2-Methylpiperazine-1,4-diium diaquatetrachloridoferrate(II) |
| Authors of publication | Peng, Cong-Hu; Li, Yun-Peng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1224 |
| a | 8.6013 ± 0.0017 Å |
| b | 6.4495 ± 0.0013 Å |
| c | 12.024 ± 0.002 Å |
| α | 90° |
| β | 101.64 ± 0.03° |
| γ | 90° |
| Cell volume | 653.3 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0245 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0498 |
| Weighted residual factors for all reflections included in the refinement | 0.0504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181202 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/81. |
2228108.cif 2228108.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228108.cif 2228108.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228108.cif 2228108.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. | 2228108.cif 2228108.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228108.cif 2228108.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228108.cif 2228108.hkl |
| 5145 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228108 via cif-deposit CGI script. |
2228108.cif |
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Users of the data should acknowledge the original authors of the
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