Information card for entry 7104286

Structure parameters

• Formula: C334 H260 F6 N24 O90 Pd6 S14
• Calculated formula: C334 H228 F6 N24 O90 Pd6 S14
• Title of publication: Self-assembly of an M6L12 coordination cube.
• Authors of publication: Suzuki, Kosuke; Tominaga, Masahide; Kawano, Masaki; Fujita, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 1638 - 1640
• a: 28.7133 ± 0.0007 Å
• b: 26.7005 ± 0.0006 Å
• c: 48.5078 ± 0.0013 Å
• α: 90°
• β: 119.496 ± 0.002°
• γ: 90°
• Cell volume: 32368.9 ± 1.4 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 7
• 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: 0.3111
• Residual factor for significantly intense reflections: 0.2062
• Weighted residual factors for significantly intense reflections: 0.4792
• Weighted residual factors for all reflections included in the refinement: 0.5346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.684
• Diffraction radiation wavelength: 0.6883 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No