Information card for entry 4303713

Structure parameters

• Formula: C63 H68 Cl Fe Mn3 N13 O20.5
• Calculated formula: C63 H68 Cl Fe Mn3 N13 O20.5
• Title of publication: Hydrogen-Bond Directed Cyanide-Bridged Molecular Magnets Derived from Polycyanidemetalates and Schiff Base Manganese(III) Compounds: Synthesis, Structures, and Magnetic Properties
• Authors of publication: Daopeng Zhang; Hailong Wang; Yuting Chen; Zhong-Hai Ni; Laijin Tian; Jianzhuang Jiang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11215 - 11225
• a: 14.589 ± 0.003 Å
• b: 12.969 ± 0.003 Å
• c: 40.134 ± 0.009 Å
• α: 90°
• β: 99.804 ± 0.004°
• γ: 90°
• Cell volume: 7483 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No