Information card for entry 4108805

Structure parameters

• Formula: C22 H24 Cl0.5 N8 Ni O0.75
• Calculated formula: C22.5 H25.5 N2.5 Ni0.5 O2
• Title of publication: Self-Assembled Dinuclear Cobalt(II)-Salen Catalyst Through Hydrogen-Bonding and Its Application to Enantioselective Nitro-Aldol (Henry) Reaction
• Authors of publication: Jongwoo Park; Kai Lang; Khalil A. Abboud; Sukwon Hong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16484 - 16485
• a: 13.8471 ± 0.0018 Å
• b: 16.144 ± 0.002 Å
• c: 24.435 ± 0.003 Å
• α: 88.172 ± 0.003°
• β: 88.307 ± 0.003°
• γ: 87.923 ± 0.002°
• Cell volume: 5453.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No