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Information card for entry 1564918
Preview
| Coordinates | 1564918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H11 Fe N0 O7 P2 |
|---|---|
| Calculated formula | C8 H11 Fe O7 P2 |
| Title of publication | Hydrothermal synthesis and structure of a two-dimensional Fe(III)-organodiphosphonate compound, [Fe(O3PCH2C6H4CH2PO3H)(H2O)], and an Expansion of the Harris Notation |
| Authors of publication | Lopez, Valerie; Minichelli, Julian; Case, Derek; Ruhlandt, Karin; Doyle, Robert P.; Zubieta, Jon |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 506 |
| Pages of publication | 119518 |
| a | 12.965 ± 0.002 Å |
| b | 9.3876 ± 0.0016 Å |
| c | 9.9875 ± 0.0018 Å |
| α | 90° |
| β | 107.985 ± 0.007° |
| γ | 90° |
| Cell volume | 1156.2 ± 0.3 Å3 |
| Cell temperature | 95 ± 2 K |
| Ambient diffraction temperature | 95 ± 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 | 0.1088 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269946 (current) | 2021-10-14 | cif/ Adding structures of 1564918 via cif-deposit CGI script. |
1564918.cif |
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