Information card for entry 7113815

Structure parameters

• Formula: C138 H117 Cl7.5 N42 O30.25 Zn4
• Calculated formula: C138 H114 Cl7.5 N42 O30.25 Zn4
• Title of publication: Self-assembly of a molecular M8L12 cube having S6 symmetry
• Authors of publication: Bell, Zöe R.; Harding, Lindsay P.; Ward, Michael D.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 2432 - 2433
• a: 20.537 ± 0.009 Å
• b: 46.147 ± 0.012 Å
• c: 21.106 ± 0.006 Å
• α: 90°
• β: 115.942 ± 0.018°
• γ: 90°
• Cell volume: 17987 ± 11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.296
• Residual factor for significantly intense reflections: 0.1471
• Weighted residual factors for significantly intense reflections: 0.3539
• Weighted residual factors for all reflections included in the refinement: 0.4408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104814
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No