Information card for entry 4079616

Structure parameters

• Formula: C36 H53 Cl5 Fe N4
• Calculated formula: C36 H53 Cl5 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: 33.015 ± 0.002 Å
• b: 14.7148 ± 0.001 Å
• c: 17.6141 ± 0.0012 Å
• α: 90°
• β: 107.621 ± 0.004°
• γ: 90°
• Cell volume: 8155.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No