Information card for entry 7024533

Structure parameters

• Formula: C14 H17 Cu2 I2 N6 O0.5
• Calculated formula: C14 H17 Cu2 I2 N6 O0.5
• Title of publication: Functionalized 1,2,3-triazoles as building blocks for photoluminescent POLOs (polymers of oligomers) of copper(I).
• Authors of publication: Bai, Shi-Qiang; Kwang, Jia Yi; Koh, Lip Lin; Young, David J.; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2631 - 2636
• a: 8.9089 ± 0.0004 Å
• b: 16.0244 ± 0.0008 Å
• c: 13.7163 ± 0.0007 Å
• α: 90°
• β: 103.806 ± 0.001°
• γ: 90°
• Cell volume: 1901.56 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0311
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No