Information card for entry 4343195

Structure parameters

• Formula: C12 H23 Cl3.33 Cu1.67 N2 O0.33
• Calculated formula: C12 H23 Cl3.33333 Cu1.66667 N2 O0.333333
• Title of publication: Ionothermal syntheses of nano- and microstructured ternary copper-indium-chalcogenides.
• Authors of publication: Tyrrell, Sophie; Behrendt, Gereon; Nockemann, Peter
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4495 - 4503
• a: 19.8719 ± 0.0014 Å
• b: 9.0935 ± 0.0005 Å
• c: 29.202 ± 0.002 Å
• α: 90°
• β: 91.777 ± 0.002°
• γ: 90°
• Cell volume: 5274.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1485
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.2787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No