Information card for entry 7129330

Structure parameters

• Formula: C49 H74 N4 O3 Zn2
• Calculated formula: C49 H74 N4 O3 Zn2
• SMILES: [Zn]12([O]=C3[O]1[Zn](N(C(=O)C1(C(=C(C(=C1C)C)C)C)C)C(C)(C)C)N3C(C)(C)C)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)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: 19.4204 ± 0.0017 Å
• b: 10.707 ± 0.0009 Å
• c: 22.939 ± 0.002 Å
• α: 90°
• β: 93.2035 ± 0.0019°
• γ: 90°
• Cell volume: 4762.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No