Information card for entry 4079620

Structure parameters

• Formula: C22 H26 F6 N6 O6 S2
• Calculated formula: C22 H26 F6 N6 O6 S2
• Title of publication: An Iron(II) Complex of a Diamine-Bridged Bis-N-Heterocyclic Carbene
• Authors of publication: Grohmann, Christoph; Hashimoto, Takayoshi; Fröhlich, Roland; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8047
• a: 9.888 ± 0.0002 Å
• b: 10.87 ± 0.0003 Å
• c: 13.5542 ± 0.0003 Å
• α: 90°
• β: 108.792 ± 0.002°
• γ: 90°
• Cell volume: 1379.18 ± 0.06 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No