Information card for entry 4509472

Structure parameters

• Formula: C130 H92 Fe2 Mn2 N20 O8
• Calculated formula: C130 H92 Fe2 Mn2 N20 O8
• SMILES: C(#[N][Mn]123(n4c5=C(c6ccccc6)c6[n]2c(=C(c2ccccc2)c2n3c(cc2)C(=c2[n]1c(cc2)C(=c4cc5)c1ccccc1)c1ccccc1)cc6)[N]#C[Fe]123(C#N)N(c4c(cccc4)N1C(=O)c1[n]3cccc1)C(=O)c1[n]2cccc1)[Fe]123(C#N)N(c4c(cccc4)N1C(=O)c1[n]3cccc1)C(=O)c1[n]2cccc1.[OH](C)[Mn]123([n]4c5=C(c6ccc(C(=c7[n]1c(cc7)C(=c1ccc(=C(c4cc5)c4ccccc4)n31)c1ccccc1)c1ccccc1)n26)c1ccccc1)[OH]C.O.O
• 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: 11.5446 ± 0.0008 Å
• b: 13.849 ± 0.0009 Å
• c: 19.5595 ± 0.0012 Å
• α: 74.04 ± 0.004°
• β: 74.896 ± 0.004°
• γ: 70.509 ± 0.004°
• Cell volume: 2784.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No