Information card for entry 7128808

Structure parameters

• Formula: C18 H17 Br2 N2 P Zn
• Calculated formula: C18 H17 Br2 N2 P Zn
• SMILES: c1cccc2[n]1[Zn]([P](c1ccccc1)(c1ccccc1)N2C)(Br)Br
• Title of publication: Electrocatalytic reduction of CO₂ to CO and HCO₂^- with Zn(II) complexes displaying cooperative ligand reduction.
• Authors of publication: Berro, Patrick; Norouziyanlakvan, Somayeh; Rao, Gyaneshwar Kumar; Gabidullin, Bulat; Richeson, Darrin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9292 - 9295
• a: 9.2997 ± 0.0012 Å
• b: 17.268 ± 0.002 Å
• c: 12.0322 ± 0.0015 Å
• α: 90°
• β: 92.223 ± 0.002°
• γ: 90°
• Cell volume: 1930.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No