Information card for entry 7231410

Structure parameters

• Formula: C3 H7 N Ni O6
• Calculated formula: C3 H3 N Ni O6
• Title of publication: Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
• Authors of publication: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 37
• Pages of publication: 24465 - 24476
• a: 6.607 ± 0.003 Å
• b: 8.0559 ± 0.001 Å
• c: 7.27 ± 0.002 Å
• α: 90°
• β: 116.96 ± 0.05°
• γ: 90°
• Cell volume: 344.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for significantly intense reflections: 3.57
• Goodness-of-fit parameter for all reflections included in the refinement: 3.2
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41128 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No