Information card for entry 7234284

Structure parameters

• Formula: C18 H15 Cu3 I3 N6
• Calculated formula: C18 H15 Cu3 I3 N6
• Title of publication: Copper(i)-iodide based coordination polymers: bifunctional properties related to thermochromism and PMMA-doped polymer film materials
• Authors of publication: Yang Song; Ruiqing Fan; Ping Wang; Xinming Wang; Song Gao; Xi Du; Yulin Yang; Tianzhu Luan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 6249 - 6259
• a: 11.305 ± 0.002 Å
• b: 13.536 ± 0.003 Å
• c: 15.408 ± 0.003 Å
• α: 90°
• β: 111.03 ± 0.03°
• γ: 90°
• Cell volume: 2200.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No