Information card for entry 7239360

Structure parameters

• Formula: C58 H67.5 Cu Fe2 N18 O6.75
• Calculated formula: C58 H58 Cu Fe2 N18 O6.746
• Title of publication: Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties
• Authors of publication: Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 61
• a: 10.35 ± 0.002 Å
• b: 12.023 ± 0.003 Å
• c: 12.921 ± 0.003 Å
• α: 101.583 ± 0.003°
• β: 94.969 ± 0.003°
• γ: 94.44 ± 0.003°
• Cell volume: 1561.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No