Information card for entry 7104764

Structure parameters

• Formula: C10 H12 As2 Cl4 O2 S2
• Calculated formula: C10 H12 As2 Cl4 O2 S2
• SMILES: C(c1c(cc(CS[As](Cl)Cl)c(c1)OC)OC)S[As](Cl)Cl
• Title of publication: Observation of reaction intermediates and kinetic mistakes in a remarkably slow self-assembly reaction.
• Authors of publication: Cangelosi, Virginia M; Carter, Timothy G; Zakharov, Lev N; Johnson, Darren W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5606 - 5608
• a: 8.1642 ± 0.0008 Å
• b: 11.7354 ± 0.0012 Å
• c: 9.2996 ± 0.0009 Å
• α: 90°
• β: 106.451 ± 0.002°
• γ: 90°
• Cell volume: 854.52 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0212
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No