Information card for entry 7229269

Structure parameters

• Formula: C28 H23.07 N4 O6.53 Zn
• Calculated formula: C28 H23.537 N4 O6.537 Zn
• Title of publication: Reversible mechanochromic and thermochromic luminescent switching via the hydrogen-bond-directed assemblies in a zinc coordination complex
• Authors of publication: Zou, Rui; Zhang, Jie; Hu, Shu-Zhi; Hu, Fei; Zhang, Haoyu; Fu, Zhiyong
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 8.7484 ± 0.0007 Å
• b: 10.2091 ± 0.0013 Å
• c: 14.7961 ± 0.0011 Å
• α: 80.673 ± 0.008°
• β: 89.866 ± 0.006°
• γ: 70.745 ± 0.009°
• Cell volume: 1229.2 ± 0.2 ų
• Cell temperature: 173 ± 10 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No