Information card for entry 4307768

Structure parameters

• Formula: C112 H108 B4 Cl4 Fe4 N52 Ni4 O28
• Calculated formula: C112 H108 B4 Cl4 Fe4 N52 Ni4 O28
• Title of publication: Cyano-Bridged FeIII2CuII3 and FeIII4NiII4 Complexes: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Zhi-Guo Gu; Wei Liu; Qiao-Fang Yang; Xin-Hui Zhou; Jing-Lin Zuo; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3236 - 3244
• a: 18.6771 ± 0.0016 Å
• b: 30.5524 ± 0.0016 Å
• c: 52.567 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29996 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No