Information card for entry 7045545

Structure parameters

• Formula: C8 H4 Cu3 I N8
• Calculated formula: C8 H4 Cu3 I N8
• Title of publication: A novel 3-D cuprous iodide polymer with a high Cu/I ratio.
• Authors of publication: Xiao, Hong; Zhou, Jian; Liu, Xing; Xiao, Hongping; Ferreira, Rute A. S.; Carlos, Luís D; Fu, Lianshe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3253 - 3257
• a: 13.716 ± 0.002 Å
• b: 12.69 ± 0.002 Å
• c: 8.0424 ± 0.0014 Å
• α: 90°
• β: 125.674 ± 0.002°
• γ: 90°
• Cell volume: 1137.1 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No