Information card for entry 4308607

Structure parameters

• Formula: C22 H28 Fe K Mn N9 O4.5
• Calculated formula: C22 H26 Fe K Mn N9 O4.5
• 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: 10.817 ± 0.003 Å
• b: 11.415 ± 0.003 Å
• c: 11.851 ± 0.003 Å
• α: 98.17 ± 0.02°
• β: 92.61 ± 0.02°
• γ: 98.1 ± 0.02°
• Cell volume: 1430.8 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No