Information card for entry 4104531

Structure parameters

• Formula: C28 H39 B2 Fe3 N20 O7
• Calculated formula: C28 H34 B2 Fe3 N20 O7
• 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: 13.4328 ± 0.0003 Å
• b: 14.2892 ± 0.0002 Å
• c: 22.198 ± 0.0004 Å
• α: 90°
• β: 105.729 ± 0.003°
• γ: 90°
• Cell volume: 4101.23 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No