Information card for entry 7021174

Structure parameters

• Formula: C65 H74 Br4 Fe2 N10
• Calculated formula: C65 H74 Br4 Fe2 N10
• Title of publication: Synthesis and catalytic activity of iron complexes with bidentate NHC ligands.
• Authors of publication: Wu, Jianguo; Dai, Wei; Farnaby, Joy H.; Hazari, Nilay; Le Roy, Jennifer J.; Mereacre, Valeriu; Murugesu, Muralee; Powell, Annie K.; Takase, Michael K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7404 - 7413
• a: 9.434 ± 0.004 Å
• b: 30.102 ± 0.0007 Å
• c: 23.022 ± 0.0016 Å
• α: 90°
• β: 101.188 ± 0.015°
• γ: 90°
• Cell volume: 6414 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No