Information card for entry 4101272

Structure parameters

• Formula: C157.48 H111.92 Mn3.18 N45.66 O106.58 Pd6
• Calculated formula: C157.184 H111.74 Mn3.148 N45.664 O106.536 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: 29.055 ± 0.003 Å
• b: 29.055 ± 0.003 Å
• c: 30.767 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25973 ± 7 ų
• Cell temperature: 78 ± 2 K
• Ambient diffraction temperature: 78 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.3117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No