Information card for entry 7017243

Structure parameters

• Formula: C37.25 H31.38 Cl3 N0.13 S6 Sb2
• Calculated formula: C37 H31 Cl3 S6 Sb2
• Title of publication: Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.
• Authors of publication: Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12125 - 12131
• a: 21.0255 ± 0.0007 Å
• b: 21.0255 ± 0.0007 Å
• c: 21.0255 ± 0.0007 Å
• α: 69.14°
• β: 69.14°
• γ: 69.14°
• Cell volume: 7831.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No