Information card for entry 7230798

Structure parameters

• Formula: C81 H86 Cl3 N11 O22 Zn3
• Calculated formula: C81 H70 Cl3 N11 O22 Zn3
• Title of publication: Diasteroselective multi-component assemblies from dynamic covalent imine condensation and metal-coordination chemistry: mechanism and narcissistic stereochemistry self-sorting
• Authors of publication: Badetti, Elena; Carmo dos Santos, Nadia Alessandra; Scaramuzzo, Francesca A.; Bravin, Carlo; Wurst, Klaus; Licini, Giulia; Zonta, Cristiano
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 35
• Pages of publication: 19494
• a: 16.677 ± 0.001 Å
• b: 17.848 ± 0.001 Å
• c: 27.356 ± 0.002 Å
• α: 90°
• β: 93.947 ± 0.002°
• γ: 90°
• Cell volume: 8123.2 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No