Information card for entry 7129325

Structure parameters

• Formula: C39 H56 Mg N2
• Calculated formula: C39 H56 Mg N2
• SMILES: [Mg]12345(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes
• Authors of publication: Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 9.4818 ± 0.0005 Å
• b: 11.5578 ± 0.0006 Å
• c: 17.0565 ± 0.0009 Å
• α: 81.29 ± 0.003°
• β: 78.956 ± 0.003°
• γ: 70.278 ± 0.003°
• Cell volume: 1719.33 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No