Information card for entry 4317025

Structure parameters

• Formula: C16 H12 Fe N8
• Calculated formula: C16 H12 Fe N8
• Title of publication: Structural Analysis, Spectroscopic, and Magnetic Properties of the 1D Triple-Bridged Compounds [M(dca)2(bpa)] (M = Mn, Fe, Co, Zn; dca = dicyanamide; bpa = 1,2-bis(4-pyridyl)ethane) and the 3D [Ni(dca)(bpa)2]dca.6H2O
• Authors of publication: Noelia de la Pinta; Susana Martín; M. Karmele Urtiaga; M. Gotzone Barandika; María I. Arriortua; Luis Lezama; Gotzon Madariaga; Roberto Cortés
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10445 - 10454
• a: 16.588 ± 0.005 Å
• b: 9.661 ± 0.003 Å
• c: 12.97 ± 0.005 Å
• α: 90°
• β: 123.16 ± 0.03°
• γ: 90°
• Cell volume: 1740 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.653
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No