Information card for entry 4347270

Structure parameters

• Formula: C5 H8 Cr0.33 Mn N4 O2.5
• Calculated formula: C5 H7 Cr0.333333 Mn N4 O2.48
• Title of publication: Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.
• Authors of publication: Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3047 - 3057
• a: 13.5739 ± 0.0005 Å
• b: 13.5739 ± 0.0005 Å
• c: 8.1156 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1294.97 ± 0.08 ų
• Cell temperature: 403 ± 2 K
• Ambient diffraction temperature: 403 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No