Information card for entry 4335947

Structure parameters

• Formula: C152 H112 N22 O12 Pd10
• Calculated formula: C152 H112 N22 O12 Pd10
• 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: 26.62 ± 0.006 Å
• b: 37.337 ± 0.009 Å
• c: 16.594 ± 0.004 Å
• α: 90°
• β: 113.678 ± 0.003°
• γ: 90°
• Cell volume: 15105 ± 6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.11
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections: 0.1693
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9426
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No