Information card for entry 7017216

Structure parameters

• Formula: C188 H166 Cd4 N48 O33
• Calculated formula: C188 H166 Cd4 N44.5 O22.5
• 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: 19.071 ± 0.0005 Å
• b: 19.3566 ± 0.0005 Å
• c: 30.2041 ± 0.0008 Å
• α: 87.179 ± 0.001°
• β: 88.031 ± 0.001°
• γ: 64.278 ± 0.001°
• Cell volume: 10031.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2731
• Weighted residual factors for all reflections included in the refinement: 0.2962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No