Information card for entry 4101270

Structure parameters

• Formula: C142.75 H171 Mn3.85 N45.75 O101.25 Pd6
• Calculated formula: C142.854 H171.065 Mn3.857 N45.818 O100.888 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: 24.3311 ± 0.0003 Å
• b: 46.3186 ± 0.0006 Å
• c: 46.72 ± 0.0007 Å
• α: 90°
• β: 99.6656 ± 0.0008°
• γ: 90°
• Cell volume: 51905 ± 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: 0.1738
• Residual factor for significantly intense reflections: 0.1233
• Weighted residual factors for significantly intense reflections: 0.3497
• Weighted residual factors for all reflections included in the refinement: 0.3846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.689 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No