Information card for entry 4335948

Structure parameters

• Formula: C241 H289 Cl3 N48 O24 Pd24
• Calculated formula: C241 H289 Cl3 N48 O24 Pd24
• 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: 29.4972 ± 0.0002 Å
• b: 29.4972 ± 0.0002 Å
• c: 29.4972 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25665.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections: 0.2173
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3384
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No