Information card for entry 7036406

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: 19.0241 ± 0.0011 Å
• b: 13.378 ± 0.0009 Å
• c: 19.0251 ± 0.0012 Å
• α: 90°
• β: 116.142 ± 0.003°
• γ: 90°
• Cell volume: 4346.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1027
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No