Information card for entry 1556509

Structure parameters

• Formula: C49 H62 I Mg N3 O
• Calculated formula: C49 H62 I Mg N3 O
• SMILES: [Mg]1(N(N=[N]1c1c(cccc1)c1c(cc(C(C)C)cc1C(C)C)C(C)C)c1c(c2c(cc(cc2C)C)C)cccc1c1c(C)cc(C)cc1C)([O](CC)CC)I
• 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: 8.9827 ± 0.0002 Å
• b: 23.6098 ± 0.0006 Å
• c: 22.1855 ± 0.0005 Å
• α: 90°
• β: 90.818 ± 0.001°
• γ: 90°
• Cell volume: 4704.62 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No