Information card for entry 4339012

Structure parameters

• Formula: C25 H21 As2 Cl5 S4
• Calculated formula: C25 H21 As2 Cl5 S4
• Title of publication: Diastereoselectivity in the self-assembly of As2L2Cl2 macrocycles is directed by the As-pi interaction.
• Authors of publication: Cangelosi, Virginia M.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9278 - 9284
• a: 19.313 ± 0.004 Å
• b: 19.923 ± 0.004 Å
• c: 24.508 ± 0.005 Å
• α: 78.11 ± 0.004°
• β: 78.86 ± 0.005°
• γ: 89.183 ± 0.005°
• Cell volume: 9051 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No