Information card for entry 4118354

Structure parameters

• Formula: C28 H33 K N4 O19 S
• Calculated formula: C28 H33 K N4 O19 S
• Title of publication: Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals
• Authors of publication: Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12245 - 12251
• a: 8.3294 ± 0.0004 Å
• b: 14.3335 ± 0.0007 Å
• c: 15.5664 ± 0.0008 Å
• α: 102.861 ± 0.001°
• β: 98.72 ± 0.001°
• γ: 101.181 ± 0.001°
• Cell volume: 1740.2 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No