Information card for entry 1556510

Structure parameters

• Formula: C48 H52 I Mg N3 O
• Calculated formula: C48 H52 I Mg N3 O
• SMILES: [Mg]1(I)([N](=NN1c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)[O](CC)CC
• Title of publication: Hetero- and Homoleptic Magnesium Triazenides
• Authors of publication: Vindus, D.; Niemeyer, M.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 33
• a: 19.848 ± 0.004 Å
• b: 9.373 ± 0.002 Å
• c: 23.033 ± 0.004 Å
• α: 90°
• β: 90.386 ± 0.014°
• γ: 90°
• Cell volume: 4284.9 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No