Information card for entry 7242722

Structure parameters

• Formula: C16 H8 Br4 N2 O4
• Calculated formula: C16 H8 Br4 N2 O4
• Title of publication: Photo-responsive Schottky diode behavior of a donor‒acceptor co-crystal with violet blue light emission
• Authors of publication: Singha, Soumen; Jana, Rajkumar; Mondal, Rituparna; Ray, Partha Pratim; Bag, Partha Pratim; Gupta, Kajal; Pakhira, Nandan; Rizzoli, Corrado; Mallick, Arabinda; Kumar, Sanjay; Saha, Rajat
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 19
• Pages of publication: 3510 - 3523
• a: 9.4972 ± 0.0018 Å
• b: 14.745 ± 0.003 Å
• c: 13.181 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1845.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No