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Information card for entry 4517900
Preview
| Coordinates | 4517900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H30 O34 Zr2 |
|---|---|
| Calculated formula | C10 H30 O34 Zr2 |
| Title of publication | Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). |
| Authors of publication | Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis |
| Journal of publication | ACS omega |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 33 |
| Pages of publication | 21260 - 21270 |
| a | 6.9269 ± 0.0003 Å |
| b | 10.4427 ± 0.0006 Å |
| c | 10.6447 ± 0.0006 Å |
| α | 78.421 ± 0.002° |
| β | 86.155 ± 0.002° |
| γ | 89.945 ± 0.002° |
| Cell volume | 752.56 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0529 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255860 (current) | 2020-09-04 | cif/ Updating files of 4517899, 4517900, 4517901, 4517902, 4517903, 4517904, 4517905 Original log message: Adding full bibliography for 4517899--4517905.cif. |
4517900.cif |
| 255348 | 2020-08-16 | cif/ Adding structures of 4517899, 4517900, 4517901, 4517902, 4517903, 4517904, 4517905 via cif-deposit CGI script. |
4517900.cif |
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Users of the data should acknowledge the original authors of the
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