Information card for entry 7015501

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 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 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