Information card for entry 7226835

Structure parameters

• Chemical name: ammonium nickel formate
• Formula: C3 H7 N Ni O6
• Calculated formula: C3 H7 N Ni O6
• Title of publication: Structural distortions in the high-pressure polar phases of ammonium metal formates
• Authors of publication: Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 46
• Pages of publication: 8849
• a: 7.26097 ± 0.00016 Å
• b: 7.26097 ± 0.00016 Å
• c: 8.0811 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 368.969 ± 0.015 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No