Information card for entry 7017242

Structure parameters

• Formula: C36.33 H30.33 As2 Cl S6
• Calculated formula: C36 H30 As2 S6
• SMILES: C1c2ccc3c(c2)ccc(c3)CS[As]2SCc3ccc4c(c3)ccc(c4)CS[As](S1)SCc1ccc3c(c1)ccc(CS2)c3
• 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: 21.3256 ± 0.0007 Å
• b: 21.3256 ± 0.0007 Å
• c: 41.358 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16288.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No