Information card for entry 7017239

Structure parameters

• Formula: C30 H36 As2 S6
• Calculated formula: C30 H36 As2 S6
• SMILES: [As]12SCc3c(c(c(cc3)CS[As](SCc3c(c(c(CS1)cc3)C)C)SCc1c(c(c(CS2)cc1)C)C)C)C
• 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: 14.454 ± 0.0006 Å
• b: 12.6952 ± 0.0005 Å
• c: 17.6319 ± 0.0007 Å
• α: 90°
• β: 90.15 ± 0.001°
• γ: 90°
• Cell volume: 3235.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No