Information card for entry 4308601

Structure parameters

• Formula: C38 H74 Fe Mn2 N12 O18
• Calculated formula: C38 H58 Fe Mn2 N12 O18
• Title of publication: Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study
• Authors of publication: Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 969 - 978
• a: 10.655 ± 0.0011 Å
• b: 11.0705 ± 0.0013 Å
• c: 11.8646 ± 0.0013 Å
• α: 103.606 ± 0.009°
• β: 101.826 ± 0.008°
• γ: 100.1 ± 0.009°
• Cell volume: 1294.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No