Information card for entry 7034036

Structure parameters

• Formula: C14 H14 Cu2 I2 N4 O
• Calculated formula: C14 H14 Cu2 I2 N4 O
• Title of publication: Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.
• Authors of publication: Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6075 - 6081
• a: 21.4131 ± 0.0008 Å
• b: 4.2319 ± 0.0002 Å
• c: 19.1375 ± 0.0007 Å
• α: 90°
• β: 105.302 ± 0.001°
• γ: 90°
• Cell volume: 1672.72 ± 0.12 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: 0.0277
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No