Information card for entry 4335949

Structure parameters

• Formula: C108 H72 N18 Pd9 S9
• Calculated formula: C108 H72 N18 Pd9 S9
• Title of publication: Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3-) and Trithiocyanurato(3-) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules
• Authors of publication: Claire A. Murray; Christine J. Cardin; Barnaby W. Greenland; Andrew Swift; Howard M. Colquhoun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10424 - 10430
• a: 23.4882 ± 0.0009 Å
• b: 16.5223 ± 0.0008 Å
• c: 31.085 ± 0.0012 Å
• α: 90°
• β: 101.68 ± 0.003°
• γ: 90°
• Cell volume: 11813.6 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2357
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections: 0.1983
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9974
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No