Information card for entry 7707051

Structure parameters

• Formula: C18 H17 Br Mn N3 O2
• Calculated formula: C18 H17 Br Mn N3 O2
• Title of publication: 1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.
• Authors of publication: Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 16
• Pages of publication: 5428 - 5432
• a: 7.9237 ± 0.0004 Å
• b: 12.7678 ± 0.0005 Å
• c: 17.3798 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1758.28 ± 0.15 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0272
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No