Information card for entry 7232664

Structure parameters

• Formula: C29.5 H24 N6 O5.5 Zn
• Calculated formula: C29.5 H24 N6 O5.5 Zn
• Title of publication: Crystal structures and luminescence properties of a D–A type CIEgen and its Zn(ii) complexes
• Authors of publication: Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 3322
• a: 12.02 ± 0.002 Å
• b: 16.434 ± 0.003 Å
• c: 14.413 ± 0.003 Å
• α: 90°
• β: 98.58 ± 0.03°
• γ: 90°
• Cell volume: 2815.2 ± 0.9 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No