Information card for entry 7105570

Structure parameters

• Formula: C37 H39 As7 Cl11 S14
• Calculated formula: C37 H39 As7 Cl11 S14
• Title of publication: Three's company: co-crystallization of a self-assembled S4 metallacyclophane with two diastereomeric metallacycle intermediates
• Authors of publication: Lindquist, Nathan R.; Carter, Timothy G.; Cangelosi, Virginia M.; Zakharov, Lev N.; Johnson, Darren W.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3505
• a: 14.3168 ± 0.001 Å
• b: 14.5379 ± 0.001 Å
• c: 16.8865 ± 0.0011 Å
• α: 80.564 ± 0.001°
• β: 80.511 ± 0.001°
• γ: 61.527 ± 0.001°
• Cell volume: 3032.5 ± 0.4 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: 0.0406
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No