Information card for entry 7050846

Structure parameters

• Formula: C18 H14 Fe N5 O2
• Calculated formula: C19 H13 Fe N5 O2
• Title of publication: Syntheses, structures, electrochemistry and magnetic properties of chain-like dicyanamide manganese(iii) and iron(iii) complexes with salen ligand
• Authors of publication: Shi, Qian; Cao, Rong; Li, Xing; Luo, Junhua; Hong, Maochun; Chen, Zhongning
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1397
• a: 11.4946 ± 0.0003 Å
• b: 16.5213 ± 0.0004 Å
• c: 17.8642 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3392.51 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No