Information card for entry 7028687

Structure parameters

• Formula: C68 H104 Mg N4
• Calculated formula: C62 H90 Mg N4
• SMILES: [Mg]12([N](=C(N1c1c(cccc1C(C)C)C(C)C)C1CCCCC1)c1c(cccc1C(C)C)C(C)C)N(C(=[N]2c1c(cccc1C(C)C)C(C)C)C1CCCCC1)c1c(cccc1C(C)C)C(C)C
• 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: 12.3036 ± 0.0002 Å
• b: 24.7484 ± 0.0004 Å
• c: 20.4769 ± 0.0004 Å
• α: 90°
• β: 95.9387 ± 0.0017°
• γ: 90°
• Cell volume: 6201.64 ± 0.19 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No