Information card for entry 7004043

Structure parameters

• Formula: C23.5 H28 As2 Cl2 O4 S4
• Calculated formula: C23.5 H16 As2 Cl2 O4 S4
• 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: 13.8813 ± 0.0013 Å
• b: 9.8378 ± 0.0009 Å
• c: 21.764 ± 0.002 Å
• α: 90°
• β: 90.202 ± 0.002°
• γ: 90°
• Cell volume: 2972.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No