Information card for entry 7034035

Structure parameters

• Formula: C13 H12 Cu2 I2 N4 O
• Calculated formula: C13 H12 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: 7.8794 ± 0.0007 Å
• b: 8.6744 ± 0.0007 Å
• c: 13.0228 ± 0.0011 Å
• α: 78.57 ± 0.002°
• β: 76.751 ± 0.002°
• γ: 67.049 ± 0.002°
• Cell volume: 791.92 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No