Information card for entry 7028689

Structure parameters

• Formula: C62 H78 Mg N4 O2
• Calculated formula: C62 H78 Mg N4 O2
• SMILES: [Mg]12([O]3CCCC3)([N](=C(N1c1c(cc(cc1C)C)C)c1cc(cc(c1)C)C)c1c(cc(cc1C)C)C)N(C(=[N]2c1c(cc(cc1C)C)C)c1cc(cc(c1)C)C)c1c(cc(cc1C)C)C.O1CCCC1
• Title of publication: Synthesis and characterisation of magnesium complexes containing sterically demanding N,N'-bis(aryl)amidinate ligands.
• Authors of publication: Moxey, Graeme J.; Ortu, Fabrizio; Goldney Sidley, Leon; Strandberg, Helen N.; Blake, Alexander J.; Lewis, William; Kays, Deborah L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4838 - 4846
• a: 16.6334 ± 0.0011 Å
• b: 12.9516 ± 0.0009 Å
• c: 26.301 ± 0.0018 Å
• α: 90°
• β: 101.876 ± 0.007°
• γ: 90°
• Cell volume: 5544.7 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No