Information card for entry 7036402

Structure parameters

• Formula: C34 H50 Cl6 Fe N4
• Calculated formula: C34 H50 Cl6 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: 21.5767 ± 0.0007 Å
• b: 21.5767 ± 0.0007 Å
• c: 35.5041 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16529.1 ± 1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No