Information card for entry 4332737

Structure parameters

• Formula: C68 H104 B3 Cl Fe3 N39 Ni2 O19
• Calculated formula: C68 H103.94 B3 Cl Fe3 N39 Ni2 O19
• Title of publication: Cyano-Bridged Pentanuclear FeIII3MII2(M = Ni, Co, Fe) Clusters: Synthesis, Structures, and Magnetic Properties
• Authors of publication: Gu, Zhi-Guo; Yang, Qiao-Fang; Liu, Wei; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8895 - 8901
• a: 17.8627 ± 0.001 Å
• b: 17.8627 ± 0.001 Å
• c: 45.776 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12649.2 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No