Information card for entry 7234109

Structure parameters

• Formula: C66 H60 Br2 Cu N4 O2
• Calculated formula: C66 H60 Br2 Cu N4 O2
• Title of publication: Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics
• Authors of publication: Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 1994 - 2002
• a: 10.454 ± 0.0019 Å
• b: 15.812 ± 0.003 Å
• c: 18.477 ± 0.003 Å
• α: 90.856 ± 0.002°
• β: 91.575 ± 0.002°
• γ: 96.166 ± 0.002°
• Cell volume: 3034.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No