Information card for entry 7232991

Structure parameters

• Formula: C27 H23 B Cu2 F2 I2 N6
• Calculated formula: C27 H23 B Cu2 F2 I2 N6
• Title of publication: Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers
• Authors of publication: Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 14.6653 ± 0.0004 Å
• b: 9.0291 ± 0.0003 Å
• c: 12.2807 ± 0.0003 Å
• α: 90°
• β: 93.859 ± 0.002°
• γ: 90°
• Cell volume: 1622.46 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0731
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No