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Information card for entry 2240405
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| Coordinates | 2240405.cif |
|---|---|
| Structure factors | 2240405.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua[<i>N</i>-(2-oxidobenzyl-κ<i>O</i>)-<i>L</i>-leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-<i>N</i>,<i>N</i>')nickel(II) pentahydrate |
|---|---|
| Formula | C25 H37 N3 Ni O9 |
| Calculated formula | C25 H37 N3 Ni O9 |
| SMILES | c1ccc2ccc3ccc[n]4c3c2[n]1[Ni]124([NH](Cc3c(cccc3)O1)[C@H](C(=O)O2)CC(C)C)[OH2].O.O.O.O.O |
| Title of publication | Crystal structure of aqua[<i>N</i>-(2-oxidobenzyl-κ<i>O</i>)-<small>L</small>-leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) pentahydrate |
| Authors of publication | Faizi, Md. Serajul Haque; Sharkina, Natalia O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 195 - 198 |
| a | 11.7968 ± 0.0002 Å |
| b | 14.829 ± 0.0003 Å |
| c | 16.1406 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2823.55 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0229 |
| Residual factor for significantly intense reflections | 0.0215 |
| Weighted residual factors for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections included in the refinement | 0.0573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240405.cif 2240405.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240405.cif 2240405.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240405.cif 2240405.hkl |
| 130065 | 2015-01-23 | cif/ hkl/ Adding structures of 2240405 via cif-deposit CGI script. |
2240405.cif 2240405.hkl |
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Users of the data should acknowledge the original authors of the
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