Information card for entry 7005048

Structure parameters

• Formula: C49 H47 N5 O5 Zn
• Calculated formula: C49 H47 N5 O5 Zn
• SMILES: [Zn]123(Oc4c(C=[N]2c2nonc2[N]3=Cc2cc(ccc2O1)C#Cc1ccc(OCCCCCC)cc1)cc(cc4)C#Cc1ccc(OCCCCCC)cc1)[n]1ccccc1
• Title of publication: Synthesis of alkynylated photo-luminescent Zn(II) and Mg(II) Schiff base complexes.
• Authors of publication: Lin, Hung-Chih; Huang, Chiung-Cheng; Shi, Chih-Hau; Liao, Yong-Hong; Chen, Chien-Chih; Lin, Ying-Chih; Liu, Yi-Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 781 - 791
• a: 9.1749 ± 0.0002 Å
• b: 10.6334 ± 0.0002 Å
• c: 22.2367 ± 0.0005 Å
• α: 87.214 ± 0.001°
• β: 84.016 ± 0.001°
• γ: 89.086 ± 0.001°
• Cell volume: 2154.92 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No