Information card for entry 7017214

Structure parameters

• Formula: C185 H159 B8 F32 N41 O10 Zn4
• Calculated formula: C185 H159 B6.5 F26 N41 O10 Zn4
• Title of publication: Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.
• Authors of publication: Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12132 - 12145
• a: 18.976 ± 0.005 Å
• b: 36.829 ± 0.01 Å
• c: 32.327 ± 0.01 Å
• α: 90°
• β: 91.42 ± 0.02°
• γ: 90°
• Cell volume: 22585 ± 11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2541
• Residual factor for significantly intense reflections: 0.1947
• Weighted residual factors for significantly intense reflections: 0.4319
• Weighted residual factors for all reflections included in the refinement: 0.4722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No