Information card for entry 7050544

Structure parameters

• Formula: C19 H22 Fe N10
• Calculated formula: C19 H22 Fe N10
• Title of publication: Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)
• Authors of publication: Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 779
• a: 12.799 ± 0.005 Å
• b: 16.229 ± 0.007 Å
• c: 10.577 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2197 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Molybdenum
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No