Information card for entry 7716227

Structure parameters

• Formula: C12 H9 Cl4 N2 Sb
• Calculated formula: C12 H9 Cl4 N2 Sb
• 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: 5.72281 ± 0.00015 Å
• b: 15.2642 ± 0.0005 Å
• c: 17.5395 ± 0.0005 Å
• α: 90°
• β: 97.189 ± 0.002°
• γ: 90°
• Cell volume: 1520.1 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No