Information card for entry 7109093

Structure parameters

• Chemical name: [Mg(NacNac)(Fp)(THF)]
• Formula: C40 H54 Fe Mg N2 O3
• Calculated formula: C40 H54 Fe Mg N2 O3
• SMILES: [Mg]1([Fe]2345(C#[O])(C#[O])[cH]6[cH]2[cH]3[cH]4[cH]56)([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1
• Title of publication: Synthesis and reactions of beta-diketiminate-supported complexes with Mg-Fe or Yb-Fe bonds
• Authors of publication: Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3315
• a: 10.4327 ± 0.0001 Å
• b: 26.1989 ± 0.0002 Å
• c: 13.7996 ± 0.0001 Å
• α: 90°
• β: 100.244 ± 0.001°
• γ: 90°
• Cell volume: 3711.65 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0397
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0603
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No