Information card for entry 4327549

Structure parameters

• Formula: C102 H232 Fe3 K N34 Ni2 O52
• Calculated formula: C102 H188 Fe3 K N34 Ni2 O52
• Title of publication: From One-dimensional Chain to Pentanuclear Molecule. Magnetism of Cyano-Bridged Fe(III)-Ni(II) Complexes
• Authors of publication: Hui-Zhong Kou; Bei Chuan Zhou; Dai-Zheng Liao; Ru-Ji Wang; Yadong Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6887 - 6891
• a: 20.652 ± 0.004 Å
• b: 15.716 ± 0.003 Å
• c: 25.591 ± 0.005 Å
• α: 90°
• β: 103.09 ± 0.03°
• γ: 90°
• Cell volume: 8090 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1885
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No