Information card for entry 4000221

Structure parameters

• Formula: C60 H68 Cl4 Fe2 N16 O20
• Calculated formula: C60 H68 Cl4 Fe2 N16 O20
• Title of publication: Spin Crossover Iron(II) Coordination Polymer With Zigzag Chain Structure
• Authors of publication: Galina S. Matouzenko; Nicolas Br‚fuel; Monique Perrin; Azzedine Bousseksou; Serguei A. Borshch
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 23.625 ± 0.005 Å
• b: 11.892 ± 0.002 Å
• c: 16.51 ± 0.003 Å
• α: 90°
• β: 130.09 ± 0.03°
• γ: 90°
• Cell volume: 3548.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No