Information card for entry 2311345

Structure parameters

• Chemical name: 1-Phenylimido-1-{6-[1-(phenylimino)ethyl]pyridin-2-yl}ethan-1-yl-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iron(II)
• Formula: C42 H38 Fe N6
• Calculated formula: C42 H38 Fe N6
• Title of publication: Crystal structure of 1-phenyl-imido-1-{6-[1-(phenyl-imino)-eth-yl]pyridin-2-yl}ethan-1-yl-κ³<i>N</i>,<i>N</i>',<i>N</i>'')iron(II).
• Authors of publication: Lau, Ka-Cheong; Filatov, Alexander S.; Jordan, Richard F.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2016
• Journal volume: 72
• Journal issue: Pt 11
• Pages of publication: 1595 - 1598
• a: 11.9028 ± 0.0005 Å
• b: 32.2189 ± 0.0014 Å
• c: 35.5223 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13622.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No