Information card for entry 7232994

Structure parameters

• Formula: C29 H25 B Cu2 F2 I2 N4
• Calculated formula: C29 H25 B Cu2 F2 I2 N4
• 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: 9.8116 ± 0.0011 Å
• b: 10.9371 ± 0.001 Å
• c: 13.6945 ± 0.0012 Å
• α: 89.204 ± 0.007°
• β: 87.705 ± 0.008°
• γ: 78.296 ± 0.008°
• Cell volume: 1437.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No