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CIF Information Card
Information card for 7015501
7015500 << 7015501 >> 7015502Preview
|
Coordinates |
7015501.cif |
Structure parameters
| Formula | - C7 H8 Ni O7 - |
| Calculated formula | - C7 H8 Ni O7 - |
| Title of publication | Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction. |
| Authors of publication | Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 24 |
| Pages of publication | 6401 - 6410 |
| a | 8.8079 ± 0.0003 Å |
| b | 8.8079 ± 0.0003 Å |
| c | 21.1663 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1422.07 ± 0.08 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 31 2 1 |
| Hall symmetry space group | P 31 2" |
| Residual factor for all reflections | 0.0329 |
| Residual factor for observed reflections | 0.0272 |
| Weighted residual factors for the observed reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for observed reflections | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |