Information card for entry 7116642

Structure parameters

• Chemical name: [Fe(LN5)(CN)][BF4]
• Formula: C16 H23 B F4 Fe N6
• Calculated formula: C16 H23 B F4 Fe N6
• Title of publication: Spin canting, metamagnetism, and single-chain magnetic behaviour in a cyano-bridged homospin iron(II) compound
• Authors of publication: Dong Shao; Shao-Liang Zhang; Xin-Hua Zhao; Xin-Yi Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4360
• a: 13.0808 ± 0.0011 Å
• b: 10.6982 ± 0.0009 Å
• c: 14.0524 ± 0.0012 Å
• α: 90°
• β: 96.336 ± 0.002°
• γ: 90°
• Cell volume: 1954.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No