Information card for entry 4346357

Structure parameters

• Formula: C24 H24 Cu6 I8 N2
• Calculated formula: C24 H24 Cu6 I8 N2
• Title of publication: Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.
• Authors of publication: Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8705 - 8710
• a: 14.2237 ± 0.0005 Å
• b: 14.714 ± 0.0004 Å
• c: 17.1597 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3591.31 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No