Information card for entry 7006576

Structure parameters

• Formula: C69 H97 N11 O3 Pd2 S4
• Calculated formula: C69 H97 N11 O3 Pd2 S4
• Title of publication: Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.
• Authors of publication: Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 108 - 120
• a: 34.286 ± 0.007 Å
• b: 10.232 ± 0.002 Å
• c: 20.489 ± 0.004 Å
• α: 90°
• β: 94.3 ± 0.03°
• γ: 90°
• Cell volume: 7168 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.2704
• Residual factor for significantly intense reflections: 0.2157
• Weighted residual factors for significantly intense reflections: 0.4593
• Weighted residual factors for all reflections included in the refinement: 0.4756
• Goodness-of-fit parameter for all reflections included in the refinement: 2.516
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No