Information card for entry 4000222

Structure parameters

• Formula: C30 H34 Cl2 Fe N8 O10
• Calculated formula: C30 H34 Cl2 Fe N8 O10
• 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: 23.188 ± 0.005 Å
• b: 11.559 ± 0.002 Å
• c: 16.256 ± 0.003 Å
• α: 90°
• β: 130.35 ± 0.03°
• γ: 90°
• Cell volume: 3320.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No