Information card for entry 4104532

Structure parameters

• Formula: C24 H20 B2 Fe3 N18 O
• Calculated formula: C24 H18 B2 Fe3 N18 O
• Title of publication: Reversible Single-Crystal-to-Single-Crystal Transformation from Achiral Antiferromagnetic Hexanuclears to a Chiral Ferrimagnetic Double Zigzag Chain
• Authors of publication: Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7942 - 7943
• a: 21.9803 ± 0.0003 Å
• b: 14.3748 ± 0.0002 Å
• c: 13.3242 ± 0.0002 Å
• α: 90°
• β: 120.32 ± 0.005°
• γ: 90°
• Cell volume: 3634.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.29
• Weighted residual factors for all reflections included in the refinement: 0.3389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No