Information card for entry 4346732

Structure parameters

• Formula: C42 H44 N6 Zn2
• Calculated formula: C42 H44 N6 Zn2
• Title of publication: Macrocyclic Dizinc(II) Alkyl and Alkoxide Complexes: Reversible CO2 Uptake and Polymerization Catalysis Testing.
• Authors of publication: Romain, Charles; Bennington, Michael S.; White, Andrew J. P.; Williams, Charlotte K.; Brooker, Sally
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11842 - 11851
• a: 10.8554 ± 0.0004 Å
• b: 11.4026 ± 0.0005 Å
• c: 15.34 ± 0.0006 Å
• α: 95.001 ± 0.003°
• β: 104.463 ± 0.003°
• γ: 93.974 ± 0.003°
• Cell volume: 1823.43 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No