Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312838
Preview
| Coordinates | 2312838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis-(hydrogenmaleate)tetraaquairon(II) |
|---|---|
| Formula | C8 H14 Fe O12 |
| Calculated formula | C8 H14 Fe0.5 O12 |
| 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 | 5.20542 ± 0.00004 Å |
| b | 7.32708 ± 0.00005 Å |
| c | 9.24798 ± 0.00006 Å |
| α | 108.873 ± 0.0006° |
| β | 105.572 ± 0.0006° |
| γ | 92.2943 ± 0.0006° |
| Cell volume | 318.38 ± 0.004 Å3 |
| Cell temperature | 100 ± 0.3 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 | 0.02 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for all reflections included in the refinement | 0.023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| 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. |
2312838.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.