Information card for entry 4073292

Structure parameters

• Formula: C65 H78 N4 O Zn2
• Calculated formula: C65 H78 N4 O Zn2
• SMILES: c12c(cc(cc1C(c1cc(cc(c1O2)C1=CN([Zn](CC)[N](=C1)c1c(c(ccc1)C)C)c1c(c(ccc1)C)C)C(C)(C)C)(C)C)C(C)(C)C)C1=CN([Zn](CC)[N](=C1)c1c(c(ccc1)C)C)c1c(c(ccc1)C)C
• Title of publication: Dinuclear Zinc Complexes Based on Parallel β-Diiminato Binding Sites: Syntheses, Structures, and Properties as CO2/Epoxide Copolymerization Catalysts
• Authors of publication: Pilz, Maurice Frederic; Limberg, Christian; Lazarov, Boyan B.; Hultzsch, Kai C.; Ziemer, Burkhard
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3668
• a: 16.806 ± 0.003 Å
• b: 17.11 ± 0.003 Å
• c: 20.756 ± 0.003 Å
• α: 102.129 ± 0.019°
• β: 93.16 ± 0.02°
• γ: 99.35 ± 0.02°
• Cell volume: 5732.9 ± 1.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No