Information card for entry 7055719

Structure parameters

• Formula: C40 H60 B2 Fe3 N18 O6
• Calculated formula: C40 H50 B2 Fe3 N18 O2
• Title of publication: Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−
• Authors of publication: Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 8451
• a: 14.97 ± 0.02 Å
• b: 27.32 ± 0.04 Å
• c: 14.14 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5783 ± 14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No