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Information card for entry 2312142
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| Coordinates | 2312142.cif |
|---|---|
| Structure factors | 2312142.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | bis-(hydrogenmaleate)tetraaquanickel(II) |
|---|---|
| Formula | C8 H14 Ni O12 |
| Calculated formula | C8 H14 Ni0.5 O12 |
| Title of publication | Experimental charge density and topological analysis of tetraaquabis(hydrogenmaleato)nickel(II): a comparison with Hirshfeld atom refinement. |
| Authors of publication | Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 4 |
| a | 5.1335 ± 0.0001 Å |
| b | 7.2734 ± 0.0001 Å |
| c | 9.1031 ± 0.0001 Å |
| α | 107.952 ± 0.001° |
| β | 105.18 ± 0.001° |
| γ | 92.139 ± 0.001° |
| Cell volume | 309.472 ± 0.009 Å3 |
| Cell temperature | 121 ± 2 K |
| Ambient diffraction temperature | 121 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.016 |
| Weighted residual factors for all reflections included in the refinement | 0.017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284810 (current) | 2023-07-05 | cif/ hkl/ Adding structures of 2312142 via cif-deposit CGI script. |
2312142.cif 2312142.hkl |
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