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Information card for entry 2022832
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| Coordinates | 2022832.cif |
|---|---|
| Structure factors | 2022832.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[4-(2-aminoethyl)morpholine-κ^2^<i>N</i>,<i>N</i>']diaquanickel(II) dichloride |
|---|---|
| Formula | C12 H32 Cl2 N4 Ni O4 |
| Calculated formula | C12 H32 Cl2 N4 Ni O4 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of bis-[4-(2-amino-eth-yl)morpholine-κ<sup>2</sup> <i>N</i>,<i>N</i>']di-aqua-nickel(II) dichloride. |
| Authors of publication | Chidambaranathan, Balasubramanian; Sivaraj, Settu; Vijayamathubalan, Pandy; Selvakumar, Shanmugam |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 3 |
| Pages of publication | 226 - 230 |
| a | 8.6495 ± 0.0004 Å |
| b | 8.6593 ± 0.0004 Å |
| c | 13.1882 ± 0.0006 Å |
| α | 90° |
| β | 107.415 ± 0.001° |
| γ | 90° |
| Cell volume | 942.5 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1642 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286252 (current) | 2023-09-07 | cif/ Updating files of 2022832 Original log message: Adding full bibliography for 2022832.cif. |
2022832.cif 2022832.hkl |
| 285618 | 2023-08-11 | cif/ hkl/ Adding structures of 2022832 via cif-deposit CGI script. |
2022832.cif 2022832.hkl |
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Users of the data should acknowledge the original authors of the
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