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Information card for entry 2240915
Preview
| Coordinates | 2240915.cif |
|---|---|
| Structure factors | 2240915.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] tetranitrate <i>N</i>,<i>N</i>'-(1,4-phenylenedicarbonyl)diglycine monosolvate octahydrate |
|---|---|
| Formula | C84 H76 Co2 N18 O26 |
| Calculated formula | C84 H76 Co2 N18 O26 |
| SMILES | c1c2c3[n]([Co]45([n]6cccc(c36)cc2)([n]2cccc3ccc6ccc[n]4c6c23)[n]2cccc3ccc4ccc[n]5c4c23)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O=C(NCC(=O)O)c1ccc(cc1)C(=O)NCC(=O)O.O.O.O.O.c1ccc2ccc3ccc[n]4[Co]56([n]1c2c34)([n]1cccc2ccc3ccc[n]5c3c12)[n]1cccc2ccc3ccc[n]6c3c12.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O |
| Title of publication | Crystal structure of bis[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] tetranitrate <i>N</i>,<i>N</i>'-(1,4-phenylenedicarbonyl)diglycine solvate octahydrate |
| Authors of publication | Pook, Niels-Patrick; Hentrich, Philipp; Gjikaj, Mimoza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | 910 - 914 |
| a | 10.6663 ± 0.0018 Å |
| b | 14.314 ± 0.002 Å |
| c | 14.573 ± 0.003 Å |
| α | 85.403 ± 0.013° |
| β | 73.421 ± 0.014° |
| γ | 82.02 ± 0.012° |
| Cell volume | 2109.9 ± 0.7 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1378 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240915.cif 2240915.hkl |
| 146544 | 2015-07-12 | cif/ hkl/ Adding structures of 2240915 via cif-deposit CGI script. |
2240915.cif 2240915.hkl |
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