Information card for entry 7232993

Structure parameters

• Chemical name: BHASOB
• Formula: C29 H25 B F2 N4
• Calculated formula: C29 H25 B F2 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: 6.2631 ± 0.0005 Å
• b: 11.5815 ± 0.0007 Å
• c: 16.431 ± 0.0008 Å
• α: 90.269 ± 0.004°
• β: 91.458 ± 0.005°
• γ: 105.041 ± 0.006°
• Cell volume: 1150.56 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No