Information card for entry 7716228

Structure parameters

• Formula: C24 H18 Br5 In N4
• Calculated formula: C24 H18 Br5 In N4
• Title of publication: Advancing nonlinear optics: discovery and characterization of new non-centrosymmetric phenazine-based halides.
• Authors of publication: Cui, Yibo; Cao, Jindong; Lin, Jiawei; Li, Chunxiao; Yao, Jiyong; Liu, Kunjie; Hou, An; Guo, Zhongnan; Zhao, Jing; Liu, Quanlin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10235 - 10243
• a: 13.8567 ± 0.0011 Å
• b: 7.4648 ± 0.0005 Å
• c: 26.178 ± 0.002 Å
• α: 90°
• β: 92.906 ± 0.003°
• γ: 90°
• Cell volume: 2704.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No