Information card for entry 4101271

Structure parameters

• Formula: C142.75 H171.5 Mn3.84 N45.5 O97.25 Pd6
• Calculated formula: C142.726 H171.381 Mn3.847 N45.425 O97.261 Pd6
• Title of publication: Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.
• Authors of publication: Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 20
• Pages of publication: 6558 - 6559
• a: 24.3225 ± 0.0004 Å
• b: 45.7184 ± 0.0006 Å
• c: 46.6645 ± 0.0007 Å
• α: 90°
• β: 99.5401 ± 0.0004°
• γ: 90°
• Cell volume: 51173 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1502
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.3204
• Weighted residual factors for all reflections included in the refinement: 0.3445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.689 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No