Information card for entry 7105389

Structure parameters

• Formula: C51 H71 N3 O2 Zn
• Calculated formula: C51 H71 N3 O2 Zn
• SMILES: c12c(cc(cc1C=[N]1c3ccccc3[N]3=Cc4cc(cc(c4O[Zn]13([n]1ccccc1)O2)C)CCCCCCCCCCCC)CCCCCCCCCCCC)C
• Title of publication: Axial ligand control over monolayer and bilayer formation of metal-salophens at the liquid–solid interface
• Authors of publication: Elemans, Johannes A. A. W.; Wezenberg, Sander J.; Coenen, Michiel J. J.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; den Boer, Duncan; Speller, Sylvia; Kleij, Arjan W.; De Feyter, Steven
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 2548 - 2550
• a: 8.261 ± 0.008 Å
• b: 12.037 ± 0.012 Å
• c: 23.26 ± 0.02 Å
• α: 86.698 ± 0.019°
• β: 82.33 ± 0.02°
• γ: 88.33 ± 0.02°
• Cell volume: 2288 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1535
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No