Information card for entry 4079617

Structure parameters

• Formula: C34.25 H50.5 Cl6.5 Fe N4
• Calculated formula: C34.25 H50.5 Cl6.5 Fe N4
• Title of publication: Synthesis and Characterization of a Bis(imino)-N-heterocyclic Carbene Analogue to Bis(imino)pyridine Iron Complexes
• Authors of publication: Kaplan, Hilan Z.; Li, Bo; Byers, Jeffery A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7343
• a: 21.4058 ± 0.0009 Å
• b: 21.4058 ± 0.0009 Å
• c: 35.1534 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16107.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No