Information card for entry 7033008

Structure parameters

• Formula: C54 H72 Mg N6
• Calculated formula: C54 H72 Mg N6
• SMILES: [Mg]12([N](=Cc3n1ccc3)c1c(cccc1C(C)C)C(C)C)([N](=Cc1n2ccc1)c1c(cccc1C(C)C)C(C)C)[N](=C(NC1CCCCC1)Cc1ccccc1)C1CCCCC1
• 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: 11.569 ± 0.005 Å
• b: 12.971 ± 0.005 Å
• c: 16.674 ± 0.005 Å
• α: 100.146 ± 0.005°
• β: 93.771 ± 0.005°
• γ: 100.24 ± 0.005°
• Cell volume: 2411.6 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No