Information card for entry 4339574

Structure parameters

• Formula: C41 H29 Fe N7 O P
• Calculated formula: C41 H29 Fe N7 O P
• SMILES: [Fe]12(C#N)(C#N)(C#N)[n]3cccc4cccc(c34)N1C(=O)c1cncc[n]21.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ferrimagnetic FeIII-MnIII zigzag chain formed by a new mer-positioned ironIII cyanide precursor.
• Authors of publication: Kim, Jae Il; Yoo, Houng Sik; Koh, Eui Kwan; Kim, Hyoung Chan; Hong, Chang Seop
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8481 - 8483
• a: 8.6018 ± 0.0002 Å
• b: 15.053 ± 0.0004 Å
• c: 27.7637 ± 0.0006 Å
• α: 90°
• β: 108.048 ± 0.001°
• γ: 90°
• Cell volume: 3418.04 ± 0.14 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No