Information card for entry 7041507

Structure parameters

• Chemical name: [Fe(N3)2(4-mpc)]n
• Formula: C7 H7 Fe N7 O2
• Calculated formula: C7 H7 Fe N7 O2
• Title of publication: An Ising iron(ii) chain exhibits a large finite-size energy barrier and "hard" magnetic behaviour.
• Authors of publication: Deng, Yi-Fei; Han, Tian; Xue, Wei; Hayashi, Naoaki; Kageyama, Hiroshi; Zheng, Yan-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1449 - 1454
• a: 6.4 ± 0.002 Å
• b: 8.58 ± 0.003 Å
• c: 10.802 ± 0.004 Å
• α: 106.749 ± 0.005°
• β: 104.441 ± 0.004°
• γ: 96.194 ± 0.005°
• Cell volume: 539.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No