Information card for entry 4313879

Structure parameters

• Formula: C26 H40 Ba Cl2 N4 O12
• Calculated formula: C26 H40 Ba Cl2 N4 O12
• Title of publication: Templating Schiff-Base Lateral Macrobicycles: An Experimental and Theoretical Structural Study of the Intermediates
• Authors of publication: Carlos Platas-Iglesias; David Esteban; Vicente Ojea; Fernando Avecilla; Andrés de Blas; Teresa Rodríguez-Blas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4299 - 4307
• a: 10.467 Å
• b: 10.4755 ± 0.0002 Å
• c: 16.9911 ± 0.0003 Å
• α: 85.075 ± 0.001°
• β: 80.907 ± 0.001°
• γ: 61.627 ± 0.001°
• Cell volume: 1618.5 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No