Information card for entry 7101654

Structure parameters

• Formula: C157.5 H194 Cl N11 O10.25 Sn2
• Calculated formula: C157.5 H194 Cl N11 O10.25 Sn2
• Title of publication: Cavity effect amplification in the recognition of dicarboxylic acids by initial ditopic H-bond formation followed by kinetic trapping.
• Authors of publication: Brotherhood, Peter R; Wu, Richard A-S; Turner, Peter; Crossley, Maxwell J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 225 - 227
• a: 16.468 ± 0.009 Å
• b: 21.274 ± 0.012 Å
• c: 23.587 ± 0.013 Å
• α: 90.583 ± 0.009°
• β: 94.483 ± 0.009°
• γ: 95.907 ± 0.009°
• Cell volume: 8193 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2135
• Residual factor for significantly intense reflections: 0.1848
• Weighted residual factors for significantly intense reflections: 0.4389
• Weighted residual factors for all reflections included in the refinement: 0.4521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.668
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No