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Information card for entry 2312836
Preview
| Coordinates | 2312836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H7 Fe0.5 O6 |
|---|---|
| Calculated formula | C4 H7 Fe0.5 O6 |
| Title of publication | Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). |
| Authors of publication | Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 3 |
| a | 5.2066 ± 0.0001 Å |
| b | 7.3264 ± 0.0001 Å |
| c | 9.2475 ± 0.0001 Å |
| α | 108.907 ± 0.001° |
| β | 105.498 ± 0.001° |
| γ | 92.31 ± 0.001° |
| Cell volume | 318.455 ± 0.009 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100 ± 0.11 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 | 0.0176 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections included in the refinement | 0.0478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1446 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299627 (current) | 2025-05-13 | cif/ Adding structures of 2312834, 2312835, 2312836, 2312837, 2312838 via cif-deposit CGI script. |
2312836.cif |
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Users of the data should acknowledge the original authors of the
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