Information card for entry 7051685

Structure parameters

• Formula: C36 H74 Ba Cu4 N4 O17
• Calculated formula: C36 H74 Ba Cu4 N4 O17
• Title of publication: Heterobimetallic copper‒barium complexes for deposition of composite oxide thin films
• Authors of publication: Tahir, Asif Ali; Mazhar, Muhammad; Hamid, Mazhar; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1535
• a: 11.2621 ± 0.0011 Å
• b: 18.2768 ± 0.0017 Å
• c: 24.541 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5051.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No