Information card for entry 1573070

Structure parameters

• Formula: C46 H58 N4 Zn2
• Calculated formula: C46 H58 N4 Zn2
• SMILES: [Zn]1(N(c2c(C)cc(cc2C)C)C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)[Zn]1N(c2c(cc(cc2C)C)C)C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C
• Title of publication: Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.
• Authors of publication: Griffin, Liam P.; Aldridge, Simon
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 19577 - 19582
• a: 21.7767 ± 0.0002 Å
• b: 10.9167 ± 0.0001 Å
• c: 36.1028 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8582.71 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No