Information card for entry 2013132

Structure parameters

• Formula: C36 H44.5 Ba Cl2 N5.5 O12
• Calculated formula: C36 H44.5 Ba Cl2 N5.5 O12
• Title of publication: A barium perchlorate complex with a lateral macrobicycle derived from 1,10-diaza-15-crown-5 containing a phenol Schiff base spacer
• Authors of publication: Avecilla, Fernando; Esteban, David; Platas‒Iglesias, Carlos; De Blas, Andres; Rodríguez‒Blas, Teresa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m93 - m94
• a: 9.5691 ± 0.0008 Å
• b: 14.8261 ± 0.0013 Å
• c: 15.711 ± 0.0013 Å
• α: 101.726 ± 0.002°
• β: 101.994 ± 0.002°
• γ: 91.566 ± 0.002°
• Cell volume: 2129.2 ± 0.3 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: 0.0584
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes