Information card for entry 7128809

Structure parameters

• Formula: C31 H29 Br2 N3 P2 Zn
• Calculated formula: C31 H29 Br2 N3 P2 Zn
• SMILES: [Zn]1([P](c2ccccc2)(c2ccccc2)N(C)c2cccc(n2)N([P]1(c1ccccc1)c1ccccc1)C)(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: 10.6902 ± 0.0002 Å
• b: 10.6902 ± 0.0002 Å
• c: 46.4469 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4596.84 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No