Information card for entry 7704280

Structure parameters

• Formula: C32 H36 N4 O4 Zn
• Calculated formula: C32 H36 N4 O4 Zn
• SMILES: [Zn]123(Oc4c(C(C)(C)C)cccc4C=[N]2c2c([N]3=Cc3c(O1)c(ccc3)C(C)(C)C)cc(c(c2)C#N)C#N)[OH]C.OC
• Title of publication: Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.
• Authors of publication: Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4358 - 4368
• a: 7.3811 ± 0.0013 Å
• b: 13.9023 ± 0.0018 Å
• c: 16.664 ± 0.002 Å
• α: 99.06 ± 0.03°
• β: 102.13 ± 0.02°
• γ: 104.723 ± 0.018°
• Cell volume: 1576.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2595
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No