Information card for entry 1549196

Structure parameters

• Formula: C46 H42 N2 O6
• Calculated formula: C46 H42 N2 O6
• SMILES: c12Cc3cccc(Cc4cccc(Cc5cccc(Cc(ccc1)c2OCC/N=C/c1ccccc1O)c5O)c4OCC/N=C/c1ccccc1O)c3O
• Title of publication: Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands.
• Authors of publication: Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 16
• Pages of publication: 5801 - 5811
• a: 9.825 ± 0.002 Å
• b: 14.738 ± 0.003 Å
• c: 15.021 ± 0.003 Å
• α: 62.73 ± 0.03°
• β: 78.35 ± 0.03°
• γ: 79.95 ± 0.03°
• Cell volume: 1885.1 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No