Information card for entry 4304704

Structure parameters

• Formula: C94 H123 N9 O4 Zn2
• Calculated formula: C94 H123 N9 O4 Zn2
• Title of publication: Supramolecular Adsorption of Alkaloids by Metallosalphen Complexes
• Authors of publication: Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Arjan W. Kleij
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4256 - 4263
• a: 16.7428 ± 0.0007 Å
• b: 17.3403 ± 0.0007 Å
• c: 17.503 ± 0.0007 Å
• α: 74.724 ± 0.002°
• β: 65.086 ± 0.002°
• γ: 85.266 ± 0.002°
• Cell volume: 4443.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No