Information card for entry 7014076

Structure parameters

• Formula: C126 H180 N8 O14 Pd2 S8
• Calculated formula: C126 H180 N8 O14 Pd2 S8
• Title of publication: Transition metal-directed self-assembly of calix[4]arene based dithiocarbamate ligands.
• Authors of publication: Webber, Philip R. A.; Drew, Michael G. B.; Hibbert, Richard; Beer, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1127 - 1135
• a: 12.19 ± 0.017 Å
• b: 14.032 ± 0.017 Å
• c: 23.53 ± 0.03 Å
• α: 77.276 ± 0.01°
• β: 74.902 ± 0.01°
• γ: 68.497 ± 0.01°
• Cell volume: 3580 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3427
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.727
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No