Information card for entry 7036404

Structure parameters

• Formula: C32 H46 B Cl2 F4 Fe N4
• Calculated formula: C32 H46 B Cl2 F4 Fe N4
• Title of publication: Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.
• Authors of publication: Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16703 - 16707
• a: 18.7737 ± 0.0006 Å
• b: 13.2189 ± 0.0005 Å
• c: 18.9231 ± 0.0006 Å
• α: 90°
• β: 115.784 ± 0.002°
• γ: 90°
• Cell volume: 4228.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No