Information card for entry 4113324

Structure parameters

• Formula: C149 H96 N48 O76 Pd6
• Calculated formula: C149 H115 N48 O76 Pd6
• Title of publication: Cavity-Induced Spin-Spin Interaction between Organic Radicals within a Self-Assembled Coordination Cage
• Authors of publication: Koji Nakabayashi; Masaki Kawano; Michito Yoshizawa; Shin-ichi Ohkoshi; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16694 - 16695
• a: 29.162 ± 0.003 Å
• b: 29.162 ± 0.003 Å
• c: 30.451 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25896 ± 6 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.2924
• Residual factor for significantly intense reflections: 0.1504
• Weighted residual factors for significantly intense reflections: 0.3338
• Weighted residual factors for all reflections included in the refinement: 0.4164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No