Information card for entry 1505348

Structure parameters

• Formula: C216 H244 F72 N48 O20 P12 Pd12
• Calculated formula: C216 H244 F72 N48 O20 P12 Pd12
• Title of publication: Self-assembly of tripyrazolate-linked macrotricyclic M(12)L(4) cages with dimetallic clips.
• Authors of publication: Yu, Shu-Yan; Jiao, Qing; Li, Sheng-Hui; Huang, Hai-Ping; Li, Yi-Zhi; Pan, Yuan-Jiang; Sei, Yoshihisa; Yamaguchi, Kentaro
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1379 - 1382
• a: 20.9886 ± 0.0018 Å
• b: 22.092 ± 0.003 Å
• c: 22.856 ± 0.006 Å
• α: 104.509 ± 0.006°
• β: 104.619 ± 0.006°
• γ: 94.833 ± 0.006°
• Cell volume: 9804 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No