Information card for entry 7111177

Structure parameters

• Formula: C120 H120 N18 O18 Zn3
• Calculated formula: C120 H120 N18 O18 Zn3
• SMILES: [Zn]1234([O](c5c6[n]7cccc6ccc5NC(=O)N[C@@H](C)c5ccccc5)[Zn]756([O]1c1c7[n]5cccc7ccc1NC(=O)N[C@@H](C)c1ccccc1)[O]2c1c2[n]6cccc2ccc1NC(=O)N[C@@H](C)c1ccccc1)[O](c1c2[n]5cccc2ccc1NC(=O)N[C@@H](C)c1ccccc1)[Zn]512([O]4c4c5[n]2cccc5ccc4NC(=O)N[C@@H](C)c2ccccc2)[O]3c2c3[n]1cccc3ccc2NC(=O)N[C@@H](C)c1ccccc1.O1CCOCC1.O1CCOCC1.O1CCOCC1
• Title of publication: Stereoselective formation of a trinuclear hexa-stranded helicate-type zinc(ii) complex
• Authors of publication: Albrecht, Markus; Witt, Karen; Röttele, Herbert; Fröhlich, Roland
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1330
• a: 14.729 ± 0.001 Å
• b: 18.049 ± 0.001 Å
• c: 21.493 ± 0.001 Å
• α: 90°
• β: 108.5 ± 0.01°
• γ: 90°
• Cell volume: 5418.5 ± 0.6 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1606
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No