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Information card for entry 2312391
Preview
| Coordinates | 2312391.cif |
|---|---|
| Structure factors | 2312391.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Diaquabis(1-phenylpropane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate |
|---|---|
| Formula | C18 H36 Cl2 N4 Ni O4 |
| Calculated formula | C18 H32 Cl2 N4 Ni O4 |
| Title of publication | Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of <i>trans</i>-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate. |
| Authors of publication | Akila, Shanmugasundaram; Vidhyasagar, Thankakan; Thiruvalluvar, Aravazhi Amalan; Rajeswari, Krishnan |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 10 |
| Pages of publication | 967 - 971 |
| a | 12.113 ± 0.0007 Å |
| b | 7.3062 ± 0.0004 Å |
| c | 14.0441 ± 0.0008 Å |
| α | 90° |
| β | 91.589 ± 0.002° |
| γ | 90° |
| Cell volume | 1242.42 ± 0.12 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289234 (current) | 2024-01-31 | cif/ hkl/ Adding structures of 2312391 via cif-deposit CGI script. |
2312391.cif 2312391.hkl |
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Users of the data should acknowledge the original authors of the
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