Information card for entry 7701765

Structure parameters

• Formula: C136 H104 Cu4 F24 N32 O25.001 S16
• Calculated formula: C136 H104 Cu4 F24 N32 O25.002 S16
• Title of publication: A ligand strand that displays anion-dependant reactivity with acetonitrile; formation of either a mononuclear complex or head-to-tail circular helicate.
• Authors of publication: Clemett, Christopher J.; Faulkner, Robert A.; Rice, Craig R.; Slater, Christopher; Wedge, Christopher J.; Whitehead, Martina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8427 - 8432
• a: 40.4596 ± 0.0019 Å
• b: 17.1105 ± 0.0008 Å
• c: 23.5882 ± 0.0012 Å
• α: 90°
• β: 95.1214 ± 0.0018°
• γ: 90°
• Cell volume: 16264.5 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No