Information card for entry 4343196

Structure parameters

• Formula: C14 H20 Cl2 Cu2 O7 Se2
• Calculated formula: C14 H20 Cl2 Cu2 O7 Se2
• 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: 22.2186 ± 0.0016 Å
• b: 5.3982 ± 0.0004 Å
• c: 16.8604 ± 0.0012 Å
• α: 90°
• β: 93.53 ± 0.002°
• γ: 90°
• Cell volume: 2018.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 373.3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No