Information card for entry 7040810

Structure parameters

• Formula: C57 H94 Cl3 Fe N2 O3 P
• Calculated formula: C57 H96 Cl3 Fe N2 O3 P
• Title of publication: Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.
• Authors of publication: Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17739 - 17747
• a: 17.6972 ± 0.0007 Å
• b: 16.5426 ± 0.0007 Å
• c: 22.9862 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6729.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.3036
• Weighted residual factors for all reflections included in the refinement: 0.3424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No