Information card for entry 2108532

Structure parameters

• Formula: Cr2 Fe0.66 Mg0.34 O4
• Calculated formula: Cr2 Fe0.664 Mg0.336 O4
• Title of publication: Non-merohedral twinning: from minerals to proteins
• Authors of publication: Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine
• Journal of publication: Acta Crystallographica Section D Structural Biology
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• a: 8.321 ± 0.002 Å
• b: 8.321 ± 0.002 Å
• c: 8.321 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 576.1 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes