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Information card for entry 2234259
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| Coordinates | 2234259.cif |
|---|---|
| Structure factors | 2234259.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-<i>N</i>-(3-methoxy-2-oxidobenzylidene-1:2κ^2^<i>O</i>^2^:<i>O</i>^2^)- L-isoleucinato-2κ^2^<i>N</i>,<i>O</i>]bis(1,10-phenanthroline- 1κ^2^<i>N</i>,<i>N</i>')dinickel(II) methanol tetrasolvate trihydrate |
|---|---|
| Formula | C56 H72 N6 Ni2 O15 |
| Calculated formula | C56 H72 N6 Ni2 O15 |
| Title of publication | Bis[μ-<i>N</i>-(3-methoxy-2-oxidobenzylidene-1:2κ^2^<i>O</i>^2^:<i>O</i>^2^)-<small>L</small>-isoleucinato-2κ^2^<i>N</i>,<i>O</i>]bis(1,10-phenanthroline-1κ^2^<i>N</i>,<i>N</i>')dinickel(II) methanol tetrasolvate trihydrate |
| Authors of publication | Li, Yan; Guo, Zhenghua; Dong, Jianfang; Li, Lianzhi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m371 - m372 |
| a | 14.1827 ± 0.0015 Å |
| b | 14.3876 ± 0.0016 Å |
| c | 28.787 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5874.1 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (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 2/23/42. |
2234259.cif 2234259.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. |
2234259.cif 2234259.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234259.cif 2234259.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. | 2234259.cif 2234259.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234259.cif 2234259.hkl |
| 55526 | 2012-05-05 | cif/ Adding structures of 2234259 via cif-deposit CGI script. |
2234259.cif |
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Users of the data should acknowledge the original authors of the
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