Information card for entry 4318785

Structure parameters

• Formula: C86 H102 Cl4 Cu2 Fe2 N18 O22
• Calculated formula: C86 H100 Cl4 Cu2 Fe2 N18 O22
• Title of publication: Cyanide-Bridged Molecular Squares with Ferromagnetically Coupled dπ, dσ, and pπ Spin System
• Authors of publication: Hiroki Oshio; Masashi Yamamoto; Tasuku Ito
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5817 - 5820
• a: 11.9749 ± 0.0014 Å
• b: 13.6852 ± 0.0016 Å
• c: 17.163 ± 0.002 Å
• α: 113.078 ± 0.003°
• β: 94.366 ± 0.003°
• γ: 92.654 ± 0.004°
• Cell volume: 2571.1 ± 0.5 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No