Information card for entry 7206752

Structure parameters

• Formula: C169 H142 Cl3 I24 N32 O12 Zn12
• Calculated formula: C169.08 H118.08 Cl3 I24 N31.92 O12 Zn12
• Title of publication: Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6864
• a: 38.903 ± 0.005 Å
• b: 38.903 ± 0.005 Å
• c: 16.736 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21936 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.1571
• Weighted residual factors for significantly intense reflections: 0.3837
• Weighted residual factors for all reflections included in the refinement: 0.3959
• Goodness-of-fit parameter for all reflections included in the refinement: 2.582
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No