Information card for entry 7049210

Structure parameters

• Formula: C33 H21 Cu2 I2 N3
• Calculated formula: C33 H21 Cu2 I2 N3
• 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: 10.0295 ± 0.0011 Å
• b: 10.798 ± 0.0012 Å
• c: 16.3919 ± 0.0017 Å
• α: 98.307 ± 0.002°
• β: 98.761 ± 0.002°
• γ: 116.814 ± 0.002°
• Cell volume: 1519.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No