Information card for entry 4026440

Structure parameters

• Formula: C67 H91 N23 O31 Zn2
• Calculated formula: C67 H91 N23 O31 Zn2
• Title of publication: A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds
• Authors of publication: Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 5404 - 5412
• a: 29.0659 ± 0.0014 Å
• b: 13.3859 ± 0.0006 Å
• c: 22.1372 ± 0.001 Å
• α: 90°
• β: 106.56 ± 0.002°
• γ: 90°
• Cell volume: 8255.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.148
• 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: Yes
• Has Fobs: No