Information card for entry 7004040

Structure parameters

• Formula: C21 H20 As Cl S2
• Calculated formula: C21 H20 As Cl S2
• 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: 9.3876 ± 0.0007 Å
• b: 9.6322 ± 0.0008 Å
• c: 12.03 ± 0.0009 Å
• α: 107.646 ± 0.001°
• β: 99.3 ± 0.001°
• γ: 101.417 ± 0.001°
• Cell volume: 987.09 ± 0.13 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: 0.045
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No