Information card for entry 4509476

Structure parameters

• Formula: C74 H70 Fe Mn N10 O11
• Calculated formula: C74 H70 Fe Mn N10 O11
• SMILES: [Fe]123(N(c4c(N1C(=O)c1[n]3cccc1)cccc4)C(=O)c1[n]2cccc1)(C#N)C#[N][Mn]123([OH]CC)n4c5=C(c6[n]1c(=C(c1n2c(C(=c2[n]3c(C(=c4cc5)c3ccc(OC)cc3)cc2)c2ccc(OC)cc2)cc1)c1ccc(OC)cc1)cc6)c1ccc(OC)cc1.OC.O.OC.OCC
• Title of publication: Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged Fe(III)−Mn(III) Complexes Based on Manganese(III)-Porphyrin and Pyridinecarboxamide Dicyanideiron(III) Building Blocks
• Authors of publication: Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Kou, Hui-Zhong; Jiang, Jianzhuang; Ni, Zhong-Hai
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3989
• a: 16.583 ± 0.004 Å
• b: 18.241 ± 0.004 Å
• c: 24.507 ± 0.007 Å
• α: 90°
• β: 96.684 ± 0.005°
• γ: 90°
• Cell volume: 7363 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No