Information card for entry 7033010

Structure parameters

• Formula: C94 H116 Mg2 N4 O2
• Calculated formula: C94 H116 Mg2 N4 O2
• SMILES: C(C(=[N]1c2c(cccc2C(C)C)C(C)C)Cc2ccccc2)N(c2c(cccc2C(C)C)C(C)C)[Mg]12[O](Cc1ccccc1)[Mg]1(N(CC(=[N]1c1c(cccc1C(C)C)C(C)C)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)[O]2Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• 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: 11.523 ± 0.005 Å
• b: 12.684 ± 0.005 Å
• c: 15.762 ± 0.005 Å
• α: 79.062 ± 0.005°
• β: 73.256 ± 0.005°
• γ: 67.014 ± 0.005°
• Cell volume: 2023.1 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No