Information card for entry 7033009

Structure parameters

• Formula: C50 H64 Mg N4
• Calculated formula: C50 H64 Mg N4
• SMILES: [Mg]12(n3cccc3C=[N]1c1c(cccc1C(C)C)C(C)C)[N](=C(CN2c1c(cccc1C(C)C)C(C)C)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.
• Authors of publication: Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 955 - 965
• a: 15.311 ± 0.005 Å
• b: 16.053 ± 0.005 Å
• c: 18.041 ± 0.005 Å
• α: 90°
• β: 92.921 ± 0.005°
• γ: 90°
• Cell volume: 4428 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2295
• Weighted residual factors for all reflections included in the refinement: 0.2497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No