Information card for entry 7232992

Structure parameters

• Chemical name: BHASOA
• Formula: C27 H23 B F2 N6
• Calculated formula: C27 H23 B F2 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: 11.2952 ± 0.0003 Å
• b: 17.0907 ± 0.0006 Å
• c: 12.0417 ± 0.0003 Å
• α: 90°
• β: 94.541 ± 0.003°
• γ: 90°
• Cell volume: 2317.27 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No