Information card for entry 7049212

Structure parameters

• Formula: C54 H36 Cu3 I3 N6
• Calculated formula: C54 H30 Cu3 I3 N6
• Title of publication: Crystal-engineering and luminescence studies of 1,3,5-tris(3-pyridylethynyl)benzene or 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.
• Authors of publication: Tzeng, Biing-Chiau; Lin, Jun-Fu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 4046 - 4057
• a: 18.599 ± 0.003 Å
• b: 24.88 ± 0.004 Å
• c: 14.068 ± 0.002 Å
• α: 90°
• β: 112.22°
• γ: 90°
• Cell volume: 6026.4 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No