Information card for entry 7111229

Structure parameters

• Formula: C77 H108 Fe2 N4
• Calculated formula: C77 H108 Fe2 N4
• Title of publication: Benzyl anion abstraction from a (β-diiminato)Fe(ii) benzyl complexElectronic supplementary information (ESI) available: experimental data. See http://www.rsc.org/suppdata/cc/b2/b204454d/
• Authors of publication: Sciarone, Timo J.J.; Meetsma, Auke; Hesssen, Bart; Teuben, Jan H.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 1580
• a: 15.3319 ± 0.0009 Å
• b: 20.652 ± 0.001 Å
• c: 22.408 ± 0.001 Å
• α: 90°
• β: 90.781 ± 0.001°
• γ: 90°
• Cell volume: 7094.5 ± 0.6 ų
• Cell temperature: 125 ± 1 K
• Ambient diffraction temperature: 125 ± 1 K
• Number of distinct elements: 4
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1134
• 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: No
• Has Fobs: No