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Information card for entry 1544652
Preview
| Coordinates | 1544652.cif |
|---|---|
| Structure factors | 1544652.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate |
|---|---|
| Formula | C21 H20 Cl5 N4 Ni O1.5 |
| Calculated formula | C21 H19 Cl5 N4 Ni O1.5 |
| SMILES | [Ni]12(Cl)([OH2])([n]3c(c4[n]1cccc4)cccc3)[n]1c(c3[n]2cccc3)cccc1.ClC(Cl)Cl.[Cl-].O |
| Title of publication | Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate |
| Authors of publication | Vasileiadou, Eugenia; Angaridis, Panagiotis A.; Raptis, Raphael G.; Mathivathanan, Logesh |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 11 |
| Pages of publication | x161834 |
| a | 29.1709 ± 0.0014 Å |
| b | 11.2898 ± 0.0005 Å |
| c | 20.0517 ± 0.001 Å |
| α | 90° |
| β | 131.163 ± 0.001° |
| γ | 90° |
| Cell volume | 4971.5 ± 0.4 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1274 |
| Weighted residual factors for all reflections included in the refinement | 0.1395 |
| 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 |
|---|---|---|---|
| 188633 (current) | 2016-11-23 | cif/ hkl/ Adding structures of 1544652 via cif-deposit CGI script. |
1544652.cif 1544652.hkl |
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Users of the data should acknowledge the original authors of the
structural data.