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Information card for entry 2241833
Preview
| Coordinates | 2241833.cif |
|---|---|
| Structure factors | 2241833.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-4-Oxidobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(4-hydroxybenzoate) 7.5-hydrate |
|---|---|
| Formula | C69 H61 Cu2 N8 O16.5 |
| Calculated formula | C69 H61 Cu2 N8 O16.5 |
| Title of publication | Crystal structure of μ-4-oxidobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(4-hydroxybenzoate) 7.5-hydrate |
| Authors of publication | Su, Jian-Rong; Li, Yu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 10 |
| Pages of publication | 1396 - 1399 |
| a | 22.683 ± 0.0011 Å |
| b | 16.6644 ± 0.0006 Å |
| c | 16.8388 ± 0.0006 Å |
| α | 90° |
| β | 91.026 ± 0.003° |
| γ | 90° |
| Cell volume | 6364 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1068 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.2013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2241833.cif 2241833.hkl |
| 186173 | 2016-09-06 | cif/ hkl/ Adding structures of 2241833 via cif-deposit CGI script. |
2241833.cif 2241833.hkl |
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Users of the data should acknowledge the original authors of the
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