Information card for entry 4115956

Structure parameters

• Formula: C120 H124 N48 O36 Pd6
• Calculated formula: C175 H124 N40 O12 Pd6
• Title of publication: Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules
• Authors of publication: Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 2665 - 2666
• a: 19.579 ± 0.003 Å
• b: 20.88 ± 0.004 Å
• c: 40.705 ± 0.008 Å
• α: 90°
• β: 103.673 ± 0.009°
• γ: 90°
• Cell volume: 16169 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.3558
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.3239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No