Information card for entry 4308608

Structure parameters

• Formula: C59 H71 Fe2 Mn3 N21 O8
• Calculated formula: C57 H63 Fe2 Mn3 N21 O6
• 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: 10.2446 ± 0.0006 Å
• b: 42.944 ± 0.004 Å
• c: 17.1059 ± 0.0012 Å
• α: 90°
• β: 102.455 ± 0.007°
• γ: 90°
• Cell volume: 7348.5 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2936
• Residual factor for significantly intense reflections: 0.1312
• Weighted residual factors for significantly intense reflections: 0.3145
• Weighted residual factors for all reflections included in the refinement: 0.3704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No