Information card for entry 7126762

Structure parameters

• Formula: C33 H47 N O Zn2
• Calculated formula: C33 H47 N O Zn2
• SMILES: [Zn]12([Zn]3456[c]7([c]6([c]5([c]4([c]37C)C)C)C)C)N(C(=O)C3(C(=[C]1([C]2(=C3C)C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Intermediate snapshot on the insertion reaction of isocyanates into the Zn-Cp* bond of dizincocene Cp*₂Zn₂.
• Authors of publication: Li, Bin; Wölper, Christoph; Huse, Kevin; Schulz, Stephan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 61
• Pages of publication: 8643 - 8646
• a: 15.9994 ± 0.0014 Å
• b: 13.4294 ± 0.0012 Å
• c: 15.3641 ± 0.0013 Å
• α: 90°
• β: 108.019 ± 0.004°
• γ: 90°
• Cell volume: 3139.3 ± 0.5 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: 0.043
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No