Information card for entry 7061397

Structure parameters

• Chemical name: CuL1
• Formula: C38 H42 B Cl Cu Fe N15 O6
• Calculated formula: C36 H34 B Cl Cu Fe N15 O4
• Title of publication: Heterobimetallic cyanide-bridged FeIII(μ-CN)MII complexes (M = Mn and Cu): synthesis, structure and magnetism
• Authors of publication: Ahmed, Sayeed; Kumar, Akhilesh; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 7711 - 7720
• a: 12.941 ± 0.005 Å
• b: 13.51 ± 0.006 Å
• c: 13.967 ± 0.006 Å
• α: 71.814 ± 0.009°
• β: 69.341 ± 0.009°
• γ: 86.686 ± 0.009°
• Cell volume: 2167 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No