Information card for entry 4122609

Structure parameters

• Formula: C51 H65 B Fe N7 P
• Calculated formula: C51 H65 B Fe N7 P
• Title of publication: Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.
• Authors of publication: Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 38
• Pages of publication: 13326 - 13332
• a: 16.4633 ± 0.0007 Å
• b: 53.391 ± 0.002 Å
• c: 16.162 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14206.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No