Information card for entry 7105569

Structure parameters

• Formula: C24 H24 As4 Cl12 S8
• Calculated formula: C22 H22 As4 Cl8 S8
• SMILES: [As]1(Cl)SCc2c3CS[As](Cl)SCc4cc(CS1)c1CS[As](Cl)SCc(c(CS[As](Cl)SCc4c1)c3)c2.ClC(Cl)C(Cl)Cl
• Title of publication: Three's company: co-crystallization of a self-assembled S4 metallacyclophane with two diastereomeric metallacycle intermediates
• Authors of publication: Lindquist, Nathan R.; Carter, Timothy G.; Cangelosi, Virginia M.; Zakharov, Lev N.; Johnson, Darren W.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3505
• a: 17.9104 ± 0.0011 Å
• b: 25.7564 ± 0.0016 Å
• c: 18.9947 ± 0.0012 Å
• α: 90°
• β: 93.086 ± 0.001°
• γ: 90°
• Cell volume: 8749.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No