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Information card for entry 2231036
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| Coordinates | 2231036.cif |
|---|---|
| Structure factors | 2231036.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexachloridobis{μ~2~-2-(piperazin-1-yl)-<i>N</i>-[1-(2-pyridyl) ethylidene]ethanamine}trizinc dihydrate |
|---|---|
| Formula | C26 H44 Cl6 N8 O2 Zn3 |
| Calculated formula | C26 H44 Cl6 N8 O2 Zn3 |
| Title of publication | Hexachloridobis{<i>{μ</i>~2~}-2-(piperazin-1-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine}trizinc dihydrate |
| Authors of publication | Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1091 |
| a | 7.606 ± 0.0003 Å |
| b | 14.885 ± 0.0005 Å |
| c | 16.7153 ± 0.0005 Å |
| α | 72.57 ± 0.002° |
| β | 86.834 ± 0.002° |
| γ | 88.936 ± 0.002° |
| Cell volume | 1802.77 ± 0.11 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 | 0.0618 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203508 (current) | 2017-11-23 | cif/2/ Marking attached hydrogen atoms in entries 2000549, 2001283, 2003567, 2004002, 2005236, 2005902, 2005956, 2006560, 2007872, 2008243, 2009877, 2011209, 2011629, 2012865, 2015473, 2017104, 2100028, 2100558, 2102807, 2201073, 2201701, 2206573, 2231036, 2239624, 2241339. |
2231036.cif 2231036.hkl |
| 181232 | 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 2/23/10. |
2231036.cif 2231036.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. |
2231036.cif 2231036.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231036.cif 2231036.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. | 2231036.cif 2231036.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231036.cif 2231036.hkl |
| 26928 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231036 via cif-deposit CGI script. |
2231036.cif |
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Users of the data should acknowledge the original authors of the
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