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Information card for entry 2227765
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| Coordinates | 2227765.cif |
|---|---|
| Structure factors | 2227765.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-<i>N</i>,<i>N</i>,<i>N'</i>,<i>N</i>'-Tetrakis(2-pyridylmethyl)butane- 1,4-diamine]bis[dichloridocopper(II)] trihydrate |
|---|---|
| Formula | C28 H38 Cl4 Cu2 N6 O3 |
| Calculated formula | C28 H38 Cl4 Cu2 N6 O3 |
| Title of publication | [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane-1,4-diamine]bis[dichloridocopper(II)] trihydrate |
| Authors of publication | Bartholomä, Mark; Cheung, Hoi; Zubieta, Jon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1199 - m1200 |
| a | 11.4403 ± 0.0005 Å |
| b | 10.023 ± 0.0005 Å |
| c | 14.2943 ± 0.0007 Å |
| α | 90° |
| β | 106.143 ± 0.001° |
| γ | 90° |
| Cell volume | 1574.44 ± 0.13 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.245 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199607 (current) | 2017-08-07 | cif/2/ (antanas@kurmis) Marking attached hydrogen atoms in entries 2000262, 2000356, 2000357, 2000422, 2000780, 2001195, 2001296, 2003279, 2003960, 2004397, 2004457, 2004783, 2005019, 2005056, 2005368, 2005523, 2005899, 2006204, 2006548, 2007160, 2007319, 2007581, 2008361, 2008783, 2008795, 2008879, 2009155, 2009735, 2009825, 2010692, 2012493, 2012591, 2014003, 2014794, 2015478, 2016436, 2018087, 2020331, 2101730, 2102513, 2103420, 2104617, 2106950, 2201866, 2202250, 2202537, 2202783, 2205815, 2206800, 2207708, 2207764, 2210299, 2211561, 2212883, 2219285, 2220089, 2220776, 2227765, 2231323, 2232683, 2234124, 2241833, 2310504. |
2227765.cif 2227765.hkl |
| 181198 | 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 2/22/77. |
2227765.cif 2227765.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. |
2227765.cif 2227765.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227765.cif 2227765.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. | 2227765.cif 2227765.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227765.cif 2227765.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227765.cif 2227765.hkl |
| 4802 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227765 via cif-deposit CGI script. |
2227765.cif |
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Users of the data should acknowledge the original authors of the
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