Information card for entry 7062185

Structure parameters

• Formula: C31 H30 Cl4 N2 Zn
• Calculated formula: C31 H30 Cl4 N2 Zn
• Title of publication: Zinc complexes bearing BIAN ligands as efficient catalysts for the formation of cyclic carbonates from CO2 and epoxides
• Authors of publication: Zakrzewska, Małgorzata E.; André, Paulo J. L.; Gomes, Clara S. B.; Nunes, Ana V. M.; Rosa, Vitor
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 6551 - 6562
• a: 11.4042 ± 0.0005 Å
• b: 18.2405 ± 0.0007 Å
• c: 14.2572 ± 0.0006 Å
• α: 90°
• β: 97.123 ± 0.002°
• γ: 90°
• Cell volume: 2942.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No