Information card for entry 1549197

Structure parameters

• Formula: C57 H74 N2 O8 Zn
• Calculated formula: C57 H74 N2 O8 Zn
• SMILES: c12Cc3cccc(Cc4cccc5Cc6cccc(Cc(ccc1)c2OCC[N]1=Cc2cc(cc(c2O[Zn]1([NH2]CCOc45)OC(=O)C)C(C)(C)C)C(C)(C)C)c6OCCC)c3OCCC.C(C)O
• 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: 13.9091 ± 0.0005 Å
• b: 26.4208 ± 0.0008 Å
• c: 28.6342 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10522.8 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No