Information card for entry 4338860

Structure parameters

• Formula: C41 H58 Ba2 N4 O4.25
• Calculated formula: C41 H58 Ba2 N4 O4.25
• Title of publication: Synthesis and molecular structures of phenylamides of magnesium, calcium, strontium, and barium‒from molecular to polymeric structures.
• Authors of publication: Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7678 - 7683
• a: 12.0064 ± 0.0007 Å
• b: 14.4655 ± 0.0007 Å
• c: 14.7707 ± 0.0009 Å
• α: 99.935 ± 0.003°
• β: 103.939 ± 0.003°
• γ: 98.784 ± 0.003°
• Cell volume: 2401.3 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No