Information card for entry 7240866

Structure parameters

• Formula: C6 H6 Cu I N2 S
• Calculated formula: C6 H6 Cu I N2 S
• Title of publication: Cu(I)-iodide coordination polymers with aromatic thioamides
• Authors of publication: Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.4001 ± 0.0002 Å
• b: 32.1958 ± 0.0008 Å
• c: 9.1787 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3664.42 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No