Information card for entry 7004039

Structure parameters

• Formula: C38 H34 As2 Cl2 S4
• Calculated formula: C38 H34 As2 Cl2 S4
• SMILES: C1c2ccc(cc2)C=Cc2ccc(cc2)CS[As](SCc2ccc(cc2)C=Cc2ccc(cc2)CS[As](S1)Cl)Cl.c1ccccc1
• Title of publication: Host‒guest interactions in a series of self-assembled As2L2Cl2 macrocycles
• Authors of publication: Cangelosi, Virginia M.; Zakharov, Lev N.; Fontenot, Sean A.; Pitt, Melanie A.; Johnson, Darren W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3447 - 3453
• a: 15.404 ± 0.007 Å
• b: 6.395 ± 0.003 Å
• c: 19.576 ± 0.008 Å
• α: 90°
• β: 104.071 ± 0.005°
• γ: 90°
• Cell volume: 1870.5 ± 1.4 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: 0.1412
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No