Information card for entry 7231407

Structure parameters

• Formula: C6 H14 Mn2 N2 O12
• Calculated formula: C6 H6 Mn2 N2 O12
• 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: 6.68 ± 0.003 Å
• b: 7.097 ± 0.003 Å
• c: 13.944 ± 0.005 Å
• α: 90°
• β: 89.98 ± 0.03°
• γ: 90°
• Cell volume: 661.1 ± 0.5 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: 0.1947
• Residual factor for significantly intense reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for significantly intense reflections: 4.3
• Goodness-of-fit parameter for all reflections included in the refinement: 3.46
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41111 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No