Information card for entry 7109233

Structure parameters

• Formula: C216 H328 N112 O123 Pd14
• Calculated formula: C216 H328 N112 O123 Pd14
• Title of publication: Multicomponent self-sorting of a Pd7 molecular boat and its use in catalytic Knoevenagel condensation
• Authors of publication: Dipak Samanta; Partha Sarathi Mukherjee
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4307
• a: 17.839 ± 0.005 Å
• b: 21.154 ± 0.005 Å
• c: 23.344 ± 0.005 Å
• α: 77.33 ± 0.005°
• β: 71.749 ± 0.005°
• γ: 86.769 ± 0.005°
• Cell volume: 8162 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.3142
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2734
• Weighted residual factors for all reflections included in the refinement: 0.3707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No